SCHEMBL9722784

SCHEMBL9722784

O=C(Cl)COc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MAPT P10636 5/20 0.55
LMNA P02545 4/20 0.55
MAPK1 P28482 2/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 1/20 0.55
S1PR4 O95977 1/20 0.52
MEN1 O00255 3/20 0.52
HTT P42858 2/20 0.52
FAAH O00519 2/20 0.51
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
NPSR1 Q6W5P4 2/20 0.50
PDE7A Q13946 1/20 0.50
CYP1A2 P05177 1/20 0.47

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
SCHEMBL1332207 0.88 KDM4E (0.64) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11380305 0.87 KDM4E (0.63) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11380309 0.87 KDM4E (0.63) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL9770348 0.85 KMT2A (0.53) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL6327826 0.82 ALDH1A1 (0.71) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL5008126 0.81 KDM4E (0.57) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL922764 0.80 ALDH1A1 (0.68) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL357386 0.79 S1PR4 (0.59) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL27654744 0.77 S1PR4 (0.61) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL2538911 0.77 TDP1 (0.74) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed
US-4472300-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4207234-A 4-Unsubstituted azetidinone derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-06-10 US disclosed