SCHEMBL11019463

SCHEMBL11019463

CCCCCCCc1cnc(-c2ccc(CCC)cc2)nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 4/20 0.55
HSD17B10 Q99714 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
RARB P10826 6/20 0.45
NPC1 O15118 3/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
SPHK1 Q9NYA1 1/20 0.42
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL11019278 0.85 ALDH1A1 (0.56) RAB9ASMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL11019915 0.85 ALDH1A1 (0.56) RAB9ASMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL11017599 0.85 ALDH1A1 (0.56) RAB9ASMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL11014641 0.85 ALDH1A1 (0.56) RAB9ASMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL10342375 0.84 MAPT (0.55) RAB9ASMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL11014553 0.84 MAPT (0.55) RAB9ASMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL10342367 0.84 MAPT (0.55) RAB9ASMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL10342526 0.84 MAPT (0.55) RAB9ASMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL10342244 0.84 MAPT (0.55) RAB9ASMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL10342164 0.84 MAPT (0.55) RAB9ASMN1; SMN2MAPTHSD17B10MEN1

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-0158137-A2 Pyrimidines MERCK PATENT GmbH (DE) 1985-10-16 EP disclosed