SCHEMBL10942001

SCHEMBL10942001

Cc1[nH]c(-c2cccnc2)nc1C(=O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.51
NPY5R Q15761 3/20 0.51
KMT2A Q03164 1/20 0.50
HCRTR1 O43613 1/20 0.47
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LDHA P00338 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
BTK Q06187 1/20 0.42
DHODH Q02127 1/20 0.42
NPC1 O15118 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10940592 0.87 NPY5R (0.47) PIN1NPY5RKMT2AHCRTR1PKN1
SCHEMBL10649656 0.85 PIN1 (0.72) PIN1NPY5RKMT2AHCRTR1PKN1
SCHEMBL10679369 0.85 PIN1 (0.55) PIN1NPY5RKMT2AHCRTR1PKN1
SCHEMBL8964151 0.84 PIN1 (0.71) PIN1NPY5RHPGDALDH1A1KDM4E
SCHEMBL10938042 0.83 NPY5R (0.48) PIN1NPY5RKMT2AHCRTR1PKN1
SCHEMBL10937354 0.81 PIN1 (0.51) PIN1NPY5RKMT2AHCRTR1PKN1
SCHEMBL10937913 0.81 PIN1 (0.51) PIN1NPY5RKMT2AHCRTR1PKN1
SCHEMBL10938735 0.80 PIN1 (0.57) PIN1NPY5RKMT2AHCRTR1HPGD
SCHEMBL10679043 0.80 PIN1 (0.50) PIN1NPY5RKMT2AHCRTR1PKN1
SCHEMBL3418983 0.80 NPY5R (0.50) PIN1NPY5RKMT2AHCRTR1PKN1

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
US-4499097-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1985-02-12 US claimed