SCHEMBL5203516

SCHEMBL5203516

CCOC(=N)c1c(F)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
DGAT1 O75907 1/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 5/20 0.40
BACE1 P56817 1/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL8299666 0.88 NLRP3 (0.41) ALDH1A1DGAT1POLBSMN1; SMN2KDM4E
SCHEMBL1671664 0.80 LMNA (0.58) ALDH1A1ALOX15TDP1LMNAPOLB
SCHEMBL29723948 0.78 ALDH1A1 (0.47) ALDH1A1ALOX15TDP1LMNAPOLB
SCHEMBL10441996 0.78 ALDH1A1 (0.47) ALDH1A1ALOX15TDP1LMNAPOLB
SCHEMBL10665388 0.77 DGAT1 (0.41) ALDH1A1ALOX15TDP1LMNADGAT1
SCHEMBL6640647 0.75 ALDH1A1 (0.45) ALDH1A1ALOX15TDP1LMNAPOLB
Hydrochloric Acid SCHEMBL29195762 0.73 KMT2A (0.51) ALDH1A1ALOX15TDP1LMNAPOLB
SCHEMBL23301981 0.73 ALDH1A1 (0.43) ALDH1A1ALOX15TDP1LMNAPOLB
SCHEMBL23301982 0.73 ALDH1A1 (0.43) ALDH1A1ALOX15TDP1LMNAPOLB
SCHEMBL16563920 0.73 MEN1 (0.52) ALDH1A1ALOX15TDP1LMNAPOLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123291-B1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN DOW AGROSCIENCES LLC (US) 2007-07-18 EP disclosed
EP-1123291-B1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN DOW AGROSCIENCES LLC (US) 2007-07-18 EP disclosed
US-6329528-B1 REACTING ALKYL BENZTHIOIMIDATE OR ITS ACID ADDITION SALT WITH FURAN OR THIOFURAN ACID CHLORIDE COMPOUND TO PRODUCT ADDUCT-INTERMEDIATE; REACTING WITH METHYLHYDRAZINE TO PRODUCE 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC 2001-12-11 US disclosed
EP-1123291-A1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN Dow Agrosciences LLC (US) 2001-08-16 EP disclosed
WO-2000024738-A1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0572142-B1 Novel 3,5-diphenyl substituted 1,2,4-triazoles and their use as insecticides and acaricides KUMIAI CHEMICAL INDUSTRY CO (JP) 1996-07-31 EP disclosed
US-5466705-A INSECTICIDES, MITICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-11-14 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed
EP-0609459-A1 TRIAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, PEST CONTROL AGENT, AND PEST CONTROL METHOD KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-08-10 EP disclosed
EP-0572142-A2 Novel 3,5-diphenyl substituted 1,2,4-triazoles and their use as insecticides and acaricides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-12-01 EP disclosed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed