SCHEMBL8732189

SCHEMBL8732189

Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nc5ccc(Cl)cc5s4)CC3)c(OC(F)F)c21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ADRA2B P18089 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARD Q03181 4/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 1/20 0.38

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
SCHEMBL8735878 0.90 MAPT (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8733661 0.90 KDM4E (0.42) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8734012 0.81 KDM4E (0.44) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8736433 0.80 TOP1 (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8734028 0.80 KDM4E (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8735884 0.80 KDM4E (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8879095 0.78 KDM4E (0.48) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL8733517 0.75 RAB9A (0.43) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8878202 0.75 KDM4E (0.44) SMN1; SMN2KDM4EADRA2BMAPK1ALDH1A1
SCHEMBL27330797 0.75 KDM4E (0.44) KDM4EADRA2BMAPK1ALDH1A1HPGD

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
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed