SCHEMBL9433503

SCHEMBL9433503

Cc1ccc(-c2c(CNC3CCC3)oc3ccc(C)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
PTPN1 P18031 1/20 0.39
KDM1A O60341 4/20 0.39
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.35
TP53 P04637 1/20 0.35
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9430350 0.97 L3MBTL1 (0.44) L3MBTL1MAPTATMPTPN1KDM1A
Hydrochloric Acid SCHEMBL9218879 0.92 POLB (0.42) L3MBTL1MAPTATMPTPN1KDM1A
Hydrochloric Acid SCHEMBL9218771 0.90 POLB (0.45) L3MBTL1MAPTATMALDH1A1TP53
Hydrochloric Acid SCHEMBL9220091 0.89 POLB (0.44) L3MBTL1MAPTATMHRH3TP53
SCHEMBL9212158 0.88 POLB (0.43) L3MBTL1MAPTATMPTPN1KDM1A
Hydrochloric Acid SCHEMBL9430066 0.80 L3MBTL1 (0.46) L3MBTL1MAPTATMPTPN1ALDH1A1
Hydrochloric Acid SCHEMBL9218477 0.77 CA1 (0.43) L3MBTL1KDM4EPOLBRAB9A
SCHEMBL9431030 0.76 NPC1 (0.48) L3MBTL1MAPTATMPTPN1KDM4E
SCHEMBL9430442 0.75 L3MBTL1 (0.46) L3MBTL1MAPTATMPTPN1KDM1A
SCHEMBL9432834 0.74 L3MBTL1 (0.45) L3MBTL1MAPTATMPTPN1KDM4E

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
WO-1994026738-A1 N'-HETEROCYCLYL-N-BENZOFURANYL UREA DERIVATIVES AND THEIR ANALOGS AS ACAT INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed