SCHEMBL9703437

SCHEMBL9703437

CN(C)C=C(NCc1ccc(Cl)nc1)[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 2/20 0.41
MAPT P10636 2/20 0.41
NAMPT P43490 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CASP6 P55212 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7104203 0.78 FAAH (0.43) FAAHALDH1A1CYP2C9MAPTNAMPT
SCHEMBL7104208 0.78 FAAH (0.43) FAAHALDH1A1CYP2C9MAPTNAMPT
SCHEMBL8466699 0.77 ALDH1A1 (0.40) ALDH1A1CYP2C9MAPTCYP3A4CYP2D6
SCHEMBL27298370 0.76 RECQL (0.41) ALDH1A1CYP2C9MAPTCYP2C19KDM4E
SCHEMBL7662087 0.76 FAAH (0.42) FAAHALDH1A1CYP2C9MAPTNAMPT
SCHEMBL7106276 0.75 NAMPT (0.41) FAAHALDH1A1CYP2C9MAPTNAMPT
SCHEMBL7106275 0.75 NAMPT (0.41) FAAHALDH1A1CYP2C9MAPTNAMPT
SCHEMBL7663609 0.75 CYP2C9 (0.44) FAAHALDH1A1CYP2C9MAPTNAMPT
SCHEMBL8404110 0.75 FAAH (0.41) FAAHALDH1A1CYP2C9MAPTNAMPT
SCHEMBL7684960 0.75 FAAH (0.41) FAAHALDH1A1CYP2C9MAPTNAMPT

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-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US disclosed