SCHEMBL8736433

SCHEMBL8736433

O=C(O)c1cn(Cc2ccccc2)c2c(OC(F)F)c(N3CCN(c4nc5ccccc5s4)CC3)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 10/20 0.50
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CHRM1 P11229 1/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL8734012 0.92 KDM4E (0.44) TOP1RAB9ANPC1KMT2AMEN1
SCHEMBL8734028 0.91 KDM4E (0.45) TOP1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL8735884 0.89 KDM4E (0.45) TOP1RAB9ANPC1KMT2AMEN1
SCHEMBL8733661 0.88 KDM4E (0.42) TOP1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL8733875 0.81 RAB9A (0.41) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL8732189 0.80 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8735878 0.78 MAPT (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8736415 0.77 CHRM1 (0.53) TOP1MAPTLMNACHRM1
SCHEMBL8735589 0.77 KDM4E (0.59) TOP1KMT2AMEN1ALDH1A1CYP2C19
SCHEMBL8733517 0.74 RAB9A (0.43) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1

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