SCHEMBL27784607

SCHEMBL27784607

Cc1cc(-c2ccc(-c3ccc(C#N)cc3)cc2)c(C)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.43
▸ CYP11B2 P19099 7/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CYP11B1 P15538 2/20 0.38
▸ STS P08842 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ NSD2 O96028 1/20 0.36

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
SCHEMBL7648992 0.81 CYP11B1 (0.48) CYP11B2CYP11B1TSHR
SCHEMBL27806613 0.79 KIF11 (0.47) KIF11CYP11B2MMP3ALDH1A1CYP2A6
SCHEMBL21899532 0.79 KIF11 (0.47) KIF11CYP11B2MMP3ALDH1A1CYP2A6
SCHEMBL25871771 0.79 ALDH1A1 (0.48) CYP11B2ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL23958923 0.77 MAOB (0.43) KIF11CYP11B2MMP3ALDH1A1CYP2A6
SCHEMBL7634772 0.77 ALDH1A1 (0.48) KIF11CYP11B2MMP3ALDH1A1CYP2A6
SCHEMBL14524914 0.76 AR (0.44) KIF11CYP11B2MMP3ALDH1A1CYP2A6
SCHEMBL14499523 0.76 KDM1A (0.45) CYP11B2ALDH1A1CYP2A6CA12CA1
SCHEMBL29306055 0.75 ALDH1A1 (0.57) KIF11CYP11B2MMP3ALDH1A1CYP2A6
SCHEMBL17630042 0.75 MAOB (0.43) KIF11CYP11B2MMP3ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101759648-A Terphenyl bridged double-benzimidazole compound, and synthesis method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2010-06-30 — — CN disclosed
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