SCHEMBL171592

SCHEMBL171592

CCCCCCCCCCCCc1ccc(C2CCCNC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
HTR2A P28223 1/20 0.40
CDK2 P24941 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNK O75909 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 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
SCHEMBL11502287 0.76 RAB9A (0.50) RAB9AMAPTNPC1SMN1; SMN2STAT3
SCHEMBL10876379 0.75 MAPT (0.46) RAB9AMAPTNPC1SMN1; SMN2STAT3
SCHEMBL171553 0.75 PRMT5 (0.41) CHRM2CHRM3
SCHEMBL13490652 0.74 CHRM2 (0.45) CDK2CHRM2CHRM3CHEK1CCNA2
SCHEMBL10355472 0.74 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2STAT3
SCHEMBL10355473 0.74 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2STAT3
SCHEMBL10463415 0.73 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2STAT3
SCHEMBL10463412 0.73 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2STAT3
SCHEMBL10463413 0.73 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2STAT3
SCHEMBL10717317 0.73 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2STAT3

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-2426120-A1 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them Fujifilm Finechemicals Co., Ltd. (JP) 2012-03-07 EP disclosed