SCHEMBL9358697

SCHEMBL9358697

Cc1[c]ccc([N+](=O)[O-])c1-c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
CASP6 P55212 1/20 0.47
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
GPR35 Q9HC97 2/20 0.42
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
S100A4 P26447 2/20 0.40
PTPRC P08575 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 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
SCHEMBL7821293 0.78 TDP1 (0.44) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7832200 0.74 GPR35 (0.50) MAPTPOLBGPR35KMT2ASMN1; SMN2
SCHEMBL30991375 0.71 MAPT (0.50) MAPTPOLBAPEX1CASP6CSNK2A2
SCHEMBL7828554 0.70 TDP1 (0.50) KMT2ASMN1; SMN2ALDH1A1MEN1S100A4
SCHEMBL5707256 0.70 ALDH1A1 (0.59) MAPTPOLBAPEX1CASP6CSNK2A2
SCHEMBL1173852 0.70 TDP1 (0.54) MAPTPOLBGPR35KMT2ASMN1; SMN2
SCHEMBL8944624 0.70 MAPT (0.53) MAPTPOLBAPEX1CASP6CSNK2A2
SCHEMBL3476440 0.69 MAPT (0.59) MAPTPOLBAPEX1CASP6CSNK2A2
SCHEMBL27993054 0.69 CASP6 (0.51) MAPTPOLBAPEX1CASP6CSNK2A2
SCHEMBL2289877 0.69 TSHR (0.50) MAPTGPR35KMT2ASMN1; 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
EP-0489836-B1 LIGHT ACTIVATED ACYL-ENZYMES UNIV DUKE (US) 1994-12-21 EP disclosed
US-5218137-A Chemical light amplifiers DUKE UNIVERSITY (US) 1993-06-08 US disclosed