SCHEMBL8322296

SCHEMBL8322296

CNC(=C[N+](=O)[O-])NC(C)Cc1ccc(Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
ACACB O00763 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL7657580 0.86 CASP6 (0.37) CASP6CHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL8070292 0.81 CHRNB2 (0.41) CASP6CHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL7664002 0.81 FAAH (0.44) CASP6CHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL7664009 0.81 FAAH (0.44) CASP6CHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL8631374 0.80 MAPK1 (0.39) CASP6SMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL8631371 0.80 MAPK1 (0.39) CASP6SMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL8069181 0.79 MEN1 (0.42) CASP6CHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL9045819 0.78 FAAH (0.42) CASP6CHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL9864816 0.77 KCNK3 (0.35) CASP6CHRNB2CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL8066452 0.77 QPCTL (0.41) CASP6CHRNB2CHRNA4SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883107-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1999-03-16 US claimed
US-5883107-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1999-03-16 US disclosed