SCHEMBL16378337

SCHEMBL16378337

CCCc1cn(Cn2ccc3cc([N+](=O)[O-])ccc32)nn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
CYP19A1 P11511 3/20 0.39
GLS O94925 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
KRAS P01116 1/20 0.37
CYP1A2 P05177 1/20 0.36
HTR7 P34969 1/20 0.35

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
SCHEMBL16378335 0.94 GGPS1 (0.39) SLC6A2CYP19A1GLSPLGPLAU
SCHEMBL16378339 0.93 CYP19A1 (0.41) SLC6A2CYP19A1
SCHEMBL16378229 0.91 SLC6A2 (0.40) SLC6A2CYP19A1GLSPLGPLAU
SCHEMBL16378338 0.90 HTR7 (0.41) SLC6A2CYP19A1GLSKDM4EPLG
SCHEMBL16369318 0.88 GLS (0.38) SLC6A2CYP19A1GLSKDM4EPLG
SCHEMBL16378334 0.88 GLS (0.38) SLC6A2CYP19A1GLSKDM4EPLG
SCHEMBL16378336 0.84 HTR7 (0.40) SLC6A2CYP19A1GLSHTR7
SCHEMBL16369323 0.83 EPHX2 (0.38) SLC6A2GLSHTR7
SCHEMBL16378341 0.83 EPHX2 (0.40) GLSHTR7
SCHEMBL16369315 0.81 CYP19A1 (0.44) CYP19A1

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-8921328-B2 E-selectin antagonists GLYCOMIMETICS, INC. (US) 2014-12-30 US disclosed