SCHEMBL16378338

SCHEMBL16378338

CCCc1cn(CCn2ccc3cc([N+](=O)[O-])ccc32)nn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
GUSB P08236 2/20 0.40
GLS O94925 1/20 0.40
SLC6A2 P23975 1/20 0.38
CYP19A1 P11511 1/20 0.38
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
KRAS P01116 1/20 0.37

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
SCHEMBL16378334 0.94 GLS (0.38) HTR7GUSBGLSSLC6A2CYP19A1
SCHEMBL16378336 0.94 HTR7 (0.40) HTR7GUSBGLSSLC6A2CYP19A1
SCHEMBL16369318 0.94 GLS (0.38) HTR7GUSBGLSSLC6A2CYP19A1
SCHEMBL16378228 0.91 GUSB (0.43) HTR7GUSBGLSSLC6A2CYP19A1
SCHEMBL16378337 0.90 SLC6A2 (0.39) HTR7GLSSLC6A2CYP19A1PLG
SCHEMBL16369323 0.89 EPHX2 (0.38) HTR7GLSSLC6A2
SCHEMBL16378341 0.89 EPHX2 (0.40) HTR7GLS
SCHEMBL16378235 0.86 GLS (0.38) HTR7GUSBGLSSLC6A2PLG
SCHEMBL16378230 0.85 GUSB (0.40) HTR7GUSBGLSSLC6A2PLG
SCHEMBL16378335 0.84 GGPS1 (0.39) GLSSLC6A2CYP19A1PLGPLAU

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