SCHEMBL11099277

SCHEMBL11099277

Cc1c(C(=O)N(C)C)oc2ccc(Cl)cc12

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.70
KCNH2 Q12809 1/20 0.59
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 2/20 0.49
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GFER P55789 1/20 0.46
NPC1 O15118 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
SCHEMBL11095441 0.88 MCL1 (0.70) MCL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL719607 0.86 MCL1 (0.63) MCL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL11095152 0.84 PKM (0.64) MCL1KCNH2KDM4EHPGDSMN1; SMN2
SCHEMBL11100621 0.83 RAB9A (0.55) MCL1KDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL14648196 0.83 MCL1 (0.77) MCL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL11686876 0.83 MCL1 (0.77) MCL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL4615856 0.83 MCL1 (1.00) MCL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL15619301 0.80 MCL1 (0.77) MCL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL11098041 0.79 NPC1 (0.64) KDM4EALDH1A1HPGDSMN1; SMN2RXFP1
SCHEMBL23665874 0.79 MCL1 (0.70) MCL1KCNH2KDM4EALDH1A1HPGD

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