SCHEMBL9502682

SCHEMBL9502682

Cc1ccc(Oc2ccc(CCl)cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
SLC6A4 P31645 4/20 0.46
KCNH2 Q12809 4/20 0.46
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
NPBWR1 P48145 1/20 0.39
CHEK2 O96017 1/20 0.39
CYP3A4 P08684 1/20 0.38
TTR P02766 3/20 0.38
ST14 Q9Y5Y6 1/20 0.37
HSP90AA1 P07900 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9889468 0.86 KMT2A (0.46) HTR2ASLC6A4KCNH2SMN1; SMN2ALDH1A1
SCHEMBL14396803 0.84 HTR2A (0.51) HTR2ASLC6A4KCNH2DRD2DRD4
SCHEMBL9109086 0.81 HTR2A (0.43) HTR2ASLC6A4KCNH2DRD2DRD4
SCHEMBL9889567 0.81 TAAR1 (0.49) HTR2ASLC6A4KCNH2CYP3A4SMN1; SMN2
SCHEMBL8736417 0.81 TEAD4 (0.48) HTR2ASLC6A4KCNH2DRD2DRD4
SCHEMBL675954 0.81 HTR2A (0.54) HTR2ASLC6A4KCNH2DRD2DRD4
SCHEMBL9900458 0.81 MRGPRX4 (0.40) HTR2ASLC6A4KCNH2DRD2TTR
SCHEMBL15869701 0.79 DRD2 (0.54) HTR2ASLC6A4KCNH2DRD2DRD4
SCHEMBL9505739 0.79 TTR (0.50) HTR2ASLC6A4KCNH2NPBWR1TTR
SCHEMBL14649910 0.79 HSP90AA1 (0.57) HTR2ASLC6A4KCNH2DRD2DRD4

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