SCHEMBL3672499

SCHEMBL3672499

CCCCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 4/20 0.37
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CREBBP Q92793 1/20 0.34
MGLL Q99685 1/20 0.34
ALOX5 P09917 1/20 0.34
MITF O75030 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR1 P03372 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11119806 0.87 ALDH1A1 (0.50) ALDH1A1TDP1POLBSMN1; SMN2KMT2A
SCHEMBL874774 0.82 TDP1 (0.44) ALDH1A1TDP1POLBKMT2AMEN1
SCHEMBL906419 0.82 TDP1 (0.44) ALDH1A1TDP1POLBKMT2AMEN1
SCHEMBL11648983 0.80 ALDH1A1 (0.49) ALDH1A1TDP1POLBSMN1; SMN2KMT2A
SCHEMBL6384309 0.79 TDP1 (0.65) ALDH1A1TDP1POLBSMN1; SMN2KMT2A
Binapacryl SCHEMBL29609584 0.77 TDP1 (0.68) ALDH1A1TDP1POLBSMN1; SMN2RAB9A
Binapacryl SCHEMBL54301 0.77 TDP1 (0.68) ALDH1A1TDP1POLBSMN1; SMN2RAB9A
Binapacryl SCHEMBL27879188 0.76 TDP1 (0.67) ALDH1A1TDP1POLBSMN1; SMN2RAB9A
SCHEMBL10619766 0.74 TDP1 (0.48) ALDH1A1TDP1POLBSMN1; SMN2KMT2A
SCHEMBL13186231 0.74 TDP1 (0.44) ALDH1A1TDP1POLBSMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3927341-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2021-12-29 EP disclosed
WO-2020201440-A1 LOW DOSE FLURALANER COMPOSITIONS FOR PROTECTION AGAINST PARASITIC INVERTEBRATE PEST VIRBAC (FR) 2020-10-08 WO disclosed
EP-2170071-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2010-04-07 EP disclosed
WO-2008148859-A2 FUNGICIDAL MIXTURES BASF SE (DE) 2008-12-11 WO disclosed
CN-1173628-C Pesticide compositions ������������� 2004-11-03 CN disclosed
EP-0934258-A1 PHENYLCARBAMATES, METHODS FOR PREPARING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed
EP-0912524-A1 2-(O- PYRIMIDIN-4-YL]METHYLENE OXY)PHENYL ACETIC ACID DERIVATIVES AND THEIR USE IN COMBATTING NOXIOUS FUNGI AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1999-05-06 EP disclosed
EP-0912525-A1 PYRIMIDINE-4-CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-05-06 EP disclosed
EP-0906271-A1 CARBAMOYL CARBOXYLIC ACID AMIDE OXIMES BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
EP-0888288-A1 FUNGICIDALLY ACTIVE CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997011065-A1 PHENYLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed
WO-1997008147-A1 N-HETEROCYCLIC COMPOUNDS, INTERMEDIATE PRODUCTS USED TO PREPARE THEM, AGENTS CONTAINING THEM AND THEIR USE IN ANTIFUNGAL APPLICATIONS BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed
WO-1997006133-A1 HYDROXIMIC ACID DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-20 WO disclosed
US-4396617-A FUNGICIDES DUPHAR INTERNATIONAL B.V. (NL) 1983-08-02 US disclosed
US-4374143-A AS FUNGICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1983-02-15 US disclosed
EP-0001663-B1 NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-05-12 EP disclosed
US-4291161-A FUNGICIDES DUPAAR INTERNATIONAL RESEARCH B.V. (NL) 1981-09-22 US disclosed
US-4221792-A N,N',N\"-TRIMETHYL TRITHIOISOCYANURATE OR 2-IMINODITHIOISOCYANURATE FUNGICIDE DUPHAR INTERNATIONAL RESEARCH, B.V. (NL) 1980-09-09 US disclosed
EP-0001663-A1 Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1979-05-02 EP disclosed
US-3962444-A Use of 4-thiocyano-quinazolines as fungicides U.S. PHILIPS CORPORATION (US) 1976-06-08 US disclosed