SCHEMBL11095441

SCHEMBL11095441

Cc1c(C(=O)N(C)C)oc2cc(Cl)ccc12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.70
KCNH2 Q12809 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 1/20 0.44
MKNK2 Q9HBH9 1/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GFER P55789 1/20 0.43
TTR P02766 1/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.40
AHR P35869 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HSD17B3 P37058 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
SCHEMBL11099277 0.88 MCL1 (0.70) MCL1KCNH2ALDH1A1KDM4EKMT2A
SCHEMBL1385653 0.83 MCL1 (1.00) MCL1KCNH2GAAALDH1A1KDM4E
SCHEMBL20893367 0.77 MCL1 (0.67) MCL1KCNH2ALDH1A1KDM4EKMT2A
SCHEMBL11095152 0.75 PKM (0.64) MCL1KCNH2GAAKDM4EKMT2A
SCHEMBL719607 0.74 MCL1 (0.63) MCL1KCNH2ALDH1A1KDM4EKMT2A
SCHEMBL11100621 0.74 RAB9A (0.55) MCL1GAAALDH1A1KDM4EKMT2A
SCHEMBL6329907 0.73 MCL1 (0.80) MCL1KCNH2ALDH1A1KDM4EKMT2A
SCHEMBL3498475 0.72 MCL1 (0.78) MCL1KCNH2GAAALDH1A1KDM4E
SCHEMBL3500950 0.72 MCL1 (0.60) MCL1KCNH2ALDH1A1KDM4EKMT2A
SCHEMBL8286023 0.71 MCL1 (0.59) MCL1GAAALDH1A1KDM4EKMT2A

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
EP-0045473-B1 A PHARMACEUTICAL COMPOSITION CONTAINING A BENZOFURAN-CARBOXAMIDE DERIVATIVE AS THE ACTIVE INGREDIENT KYOWA HAKKO KOGYO CO., LTD. (JP) 1984-05-02 EP claimed
US-4353923-A MUSCLE RELAXANTS, ANTIINFLAMMATORY, ANALGESIC KYOWA HAKKO KOGYO CO., LTD. (JP) 1982-10-12 US claimed
EP-0045473-A1 A pharmaceutical composition containing a benzofuran-carboxamide derivative as the active ingredient KYOWA HAKKO KOGYO CO., LTD. (JP) 1982-02-10 EP claimed