SCHEMBL8448158

SCHEMBL8448158

[CH2]C(F)(F)c1ccc(C)s1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PRMT6 Q96LA8 1/20 0.31

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
SCHEMBL129044 0.80 DAO (0.45) DAONPC1MAPTCASP3RAB9A
SCHEMBL16548502 0.78 NPC1 (0.38) DAONPC1MAPTCASP3RAB9A
SCHEMBL18256807 0.76 DAO (0.32) DAONPC1MAPTCASP3RAB9A
SCHEMBL128138 0.73 MLYCD (0.41) DAOSMN1; SMN2
SCHEMBL14227644 0.72 MAPK1 (0.39) DAONPC1MAPTCASP3RAB9A
SCHEMBL279712 0.72 MAPK1 (0.39) DAONPC1MAPTCASP3RAB9A
SCHEMBL353045 0.70 NPC1 (0.34) DAONPC1MAPTCASP3RAB9A
SCHEMBL23564899 0.68 NPC1 (0.33) DAONPC1MAPTCASP3RAB9A
SCHEMBL16019420 0.68 DAO (0.33) DAONPC1MAPTCASP3RAB9A
SCHEMBL128148 0.68 MAPT (0.38) DAONPC1MAPTCASP3RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942909-A1 BICYCLIC AMINE DERIVATIVES ZENECA LIMITED (GB) 1999-09-22 EP disclosed
WO-1998022463-A1 BICYCLIC AMINE DERIVATIVES ZENECA LIMITED (GB) 1998-05-28 WO disclosed