SCHEMBL8733875

SCHEMBL8733875

O=C(O)c1c[nH]c2c(OC(F)F)c(N3CCN(c4nc5ccccc5s4)CC3)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.38
SCD O00767 1/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NAAA Q02083 1/20 0.36
CRBN Q96SW2 1/20 0.35

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
SCHEMBL8733661 0.83 KDM4E (0.42) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL8734012 0.82 KDM4E (0.44) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL8736433 0.81 TOP1 (0.50) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL8734028 0.81 KDM4E (0.45) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL8735884 0.79 KDM4E (0.45) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL8732189 0.74 NPC1 (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8735589 0.73 KDM4E (0.59) KMT2AALDH1A1LMNAALOX15HSD17B10
SCHEMBL8735878 0.73 MAPT (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8733517 0.71 RAB9A (0.43) RAB9AKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL8736382 0.71 KDM4E (0.43) KMT2ASMN1; SMN2ALDH1A1LMNAHTT

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