SCHEMBL9851160

SCHEMBL9851160

Nc1ccc2c(N)c(C=O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.45
PLAU P00749 2/20 0.42
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
CASP6 P55212 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CASP1 P29466 2/20 0.38
HTT P42858 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL4359140 0.77 PLAU (0.53) TYMSPLAUKDM4ELMNACASP6
SCHEMBL514682 0.76 ERN1 (0.46) TYMSKDM4ELMNAPOLBALDH1A1
SCHEMBL29950700 0.76 ERN1 (0.46) TYMSKDM4ELMNAPOLBALDH1A1
SCHEMBL5749337 0.76 ALDH1A1 (0.41) KDM4ELMNAPOLBALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL27803975 0.74 ERN1 (0.44) TYMSKDM4ELMNAPOLBALDH1A1
SCHEMBL14012886 0.74 ERN1 (0.51) KDM4ELMNAALDH1A1CYP3A4HTT
SCHEMBL2445157 0.73 ALDH1A1 (0.57) TYMSPLAUKDM4ELMNACASP6
SCHEMBL28269586 0.73 ERN1 (0.42) TYMSPLAUKDM4ECASP6ALDH1A1
SCHEMBL7747992 0.73 PLAU (0.47) TYMSPLAUKDM4ELMNACASP6
SCHEMBL11664879 0.72 LMNA (0.46) PLAUKDM4ELMNACASP6POLB

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
EP-0426049-A2 Wholly aromatic copolyamide and shaped article thereof TEIJIN LIMITED (JP) 1991-05-08 EP disclosed