SCHEMBL9502179

SCHEMBL9502179

CCOc1cccc(Nc2ccc(CCl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
MTNR1B P49286 4/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MTNR1A P48039 3/20 0.45
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
PTK6 Q13882 1/20 0.43
BRD4 O60885 2/20 0.43
APP P05067 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL11518974 0.85 SYK (0.57) SYKMTNR1BKMT2AMEN1MTNR1A
SCHEMBL7986906 0.84 MAPT (0.54) SYKMTNR1BKMT2AMEN1MTNR1A
SCHEMBL11191264 0.83 MTNR1B (0.52) SYKMTNR1BKMT2AMEN1MTNR1A
SCHEMBL19984884 0.82 ALDH1A1 (0.48) SYKMTNR1BKMT2AMEN1MTNR1A
SCHEMBL27587753 0.81 CYP3A4 (0.59) SYKMTNR1BKMT2AMEN1MTNR1A
SCHEMBL5745566 0.77 CYP3A4 (0.55) TP53CYP3A4TSHRSMN1; SMN2KDM4E
SCHEMBL27339343 0.77 KMT2A (0.61) MTNR1BKMT2AMEN1MTNR1AHTT
SCHEMBL4707626 0.76 RXRA (0.59) TP53CYP3A4BRD4KDM4E
SCHEMBL9502738 0.76 LTA4H (0.55) KMT2AMEN1HTTTP53CYP3A4
SCHEMBL8306841 0.73 APP (0.58) SYKKMT2AMEN1HTTHSD17B10

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