SCHEMBL8774662

SCHEMBL8774662

CCCCCc1ccc(CCc2cnc(Cl)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
STAT3 P40763 1/20 0.46
ATM Q13315 1/20 0.46
KCNH2 Q12809 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8774663 0.95 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8774683 0.88 RAB9A (0.40) RAB9ASMN1; SMN2MAPTNPC1CASP3
SCHEMBL12430744 0.88 RAB9A (0.42) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8774425 0.87 RAB9A (0.46) RAB9ASMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL8774856 0.86 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL8774499 0.85 TAAR1 (0.39) RAB9ASMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL8774115 0.84 RAB9A (0.49) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8774222 0.83 MAPT (0.51) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8774963 0.83 MAPT (0.51) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8774237 0.81 HSD17B10 (0.42) RAB9ASMN1; SMN2MAPTNPC1STAT3

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed