SCHEMBL9504990

SCHEMBL9504990

O=[N+]([O-])c1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
LTA4H P09960 1/20 0.54
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.50
LPAR3 Q9UBY5 1/20 0.49
LMNA P02545 2/20 0.47
PGR P06401 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
F2 P00734 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL9161701 0.88 LTA4H (0.56) TSHRLTA4HPTGS2ALDH1A1KDM4E
SCHEMBL9356592 0.87 ALDH1A1 (0.67) TSHRLTA4HPTGS2ALDH1A1KDM4E
SCHEMBL9158141 0.87 ALDH1A1 (0.67) TSHRLTA4HPTGS2ALDH1A1KDM4E
SCHEMBL16316231 0.85 LTA4H (0.54) TSHRLTA4HPTGS2ALDH1A1KDM4E
SCHEMBL10627979 0.85 ALDH1A1 (0.61) TSHRLTA4HPTGS2ALDH1A1KDM4E
SCHEMBL9214229 0.84 ALDH1A1 (0.73) TSHRLTA4HPTGS2ALDH1A1KDM4E
SCHEMBL6162081 0.84 HSPB1 (0.59) TSHRLTA4HPTGS2ALDH1A1KDM4E
SCHEMBL5737945 0.84 LTA4H (0.53) TSHRLTA4HPTGS2ALDH1A1KDM4E
SCHEMBL4203388 0.83 TSHR (0.67) TSHRLTA4HPTGS2ALDH1A1KDM4E
SCHEMBL9645513 0.83 ALDH1A1 (0.58) TSHRLTA4HPTGS2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
EP-0132606-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
US-4612323-A Insecticidal and acaricidal derivatives of 1-benzylbenzimidazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0132606-A1 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-13 EP disclosed