SCHEMBL9364284

SCHEMBL9364284

CCCCNC(=O)c1cc(N)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.65
HTR2A P28223 1/20 0.60
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
ALOX5 P09917 3/20 0.56
PTGS2 P35354 2/20 0.56
CDK1 P06493 1/20 0.51
EGFR P00533 2/20 0.51
SYK P43405 1/20 0.51
ALOX15 P16050 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50

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
SCHEMBL17774885 0.94 NAAA (0.74) NAAAHTR2ATSHRHTTALOX5
SCHEMBL17774851 0.94 NAAA (0.74) NAAAHTR2ATSHRHTTALOX5
SCHEMBL9363837 0.91 ALOX5 (0.58) NAAAHTR2AALOX5PTGS2CDK1
SCHEMBL17774858 0.87 NAAA (0.61) NAAAHTR2ATSHRHTTALOX5
SCHEMBL1977469 0.84 ALOX5 (0.61) NAAAHTR2AALOX5PTGS2CDK1
SCHEMBL18646519 0.83 NAAA (0.67) NAAATSHRHTTALOX5PTGS2
SCHEMBL17774862 0.83 ALOX5 (0.55) NAAAHTR2ATSHRALOX5PTGS2
SCHEMBL25570097 0.82 ALOX5 (0.52) NAAAHTR2AALOX5PTGS2CDK1
SCHEMBL18646048 0.82 NAAA (0.65) NAAATSHRHTTALOX5PTGS2
SCHEMBL27452028 0.82 HTT (0.57) NAAAHTR2ATSHRHTTALOX15

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-0345728-B1 Dye composition for keratinous fiber KAO CORP (JP) 1994-09-14 EP disclosed
US-5047066-A Dye composition for keratinous fibers containing a 2-substituted 4-aminophenol compound as a developer, and a coupling substance KAO CORPORATION (JP) 1991-09-10 US disclosed