SCHEMBL11095152

SCHEMBL11095152

Cc1ccc2oc(C(=O)N(C)C)c(C)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
NPC1 O15118 8/20 0.60
RAB9A P51151 7/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KCNH2 Q12809 1/20 0.57
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL11100621 0.86 RAB9A (0.55) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL721535 0.85 PKM (0.58) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL11099277 0.84 MCL1 (0.70) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL11098041 0.82 NPC1 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7032769 0.81 KCNH2 (0.61) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL1065472 0.81 MCL1 (0.71) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL19661814 0.80 KCNH2 (0.60) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL29539987 0.80 KCNH2 (0.60) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL6238414 0.76 KCNH2 (0.63) PKMNPC1RAB9AMEN1KMT2A
SCHEMBL11095441 0.75 MCL1 (0.70) PKMKMT2AKCNH2SMN1; SMN2GAA

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