SCHEMBL11097183

SCHEMBL11097183

Cc1c(C(=O)N(C)C)oc2cccc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
EDNRA P25101 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
DHODH Q02127 1/20 0.37
G6PD P11413 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TTR P02766 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR4 O95977 1/20 0.36
THRB P10828 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
SCHEMBL27590200 0.82 EDNRA (0.62) KDM1AEDNRANPC1RAB9AMAPT
SCHEMBL11095429 0.77 L3MBTL1 (0.61) NPC1RAB9ATDP1L3MBTL1HPGD
SCHEMBL30608271 0.77 NPC1 (0.59) KDM1AEDNRANPC1RAB9AMAPT
SCHEMBL3608519 0.74 EDNRA (0.56) EDNRANPC1RAB9AMAPTL3MBTL1
SCHEMBL11095441 0.71 MCL1 (0.70) ALDH1A1KDM4EHSD17B10MKNK2HPGD
SCHEMBL11099277 0.71 MCL1 (0.70) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL20231009 0.69 ALDH1A1 (0.47) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3620283 0.69 RAB9A (0.65) NPC1RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL25824708 0.67 ALDH1A1 (0.38) KDM1AALDH1A1DHODHTTRMEN1
SCHEMBL11016147 0.67 NPC1 (0.49) KDM1AEDNRANPC1RAB9AMAPT

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