SCHEMBL4551670

SCHEMBL4551670

C=CC(C(=O)NN)n1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.37
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 2/20 0.32
CYP19A1 P11511 4/20 0.32
CYP24A1 Q07973 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP26A1 O43174 5/20 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
SCHEMBL27749679 0.81 CYP17A1 (0.40) CYP17A1KDM4EKMT2ACYP19A1CYP24A1
SCHEMBL6898202 0.79 CYP17A1 (0.44) CYP17A1KDM4EKMT2ACYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL28870357 0.77 CYP17A1 (0.43) CYP17A1KDM4ECYP19A1ALDH1A1CYP26A1
Bromide SCHEMBL28405764 0.77 CYP17A1 (0.43) CYP17A1KDM4EKMT2ACYP19A1ALDH1A1
SCHEMBL28131809 0.77 ALDH1A1 (0.45) CYP17A1KDM4EKMT2ACYP19A1ALDH1A1
SCHEMBL9706448 0.76 KDM4E (0.55) CYP17A1KDM4ECYP19A1HTTCYP26A1
SCHEMBL20518716 0.76 KDM4E (0.41) CYP17A1KDM4EKMT2ACYP19A1ALDH1A1
SCHEMBL20518717 0.76 KDM4E (0.41) CYP17A1KDM4EKMT2ACYP19A1ALDH1A1
SCHEMBL29215164 0.74 KDM4E (0.41) CYP17A1KDM4EKMT2ACYP26A1
SCHEMBL11035620 0.73 KMT2A (0.47) CYP17A1KDM4EKMT2ACYP19A1CYP24A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638565-B2 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-12-29 US disclosed
US-20070054998-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-03-08 US disclosed
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP disclosed