SCHEMBL16966254

SCHEMBL16966254

COc1cccc(NO)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPT P10636 5/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EGFR P00533 2/20 0.43
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL194451 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1L3MBTL1ADRA2B
SCHEMBL7772199 0.79 CA1 (0.55) ALDH1A1MAPTMAPK1L3MBTL1EGFR
SCHEMBL8374070 0.78 KMT2A (0.50) ALDH1A1MAPTMAPK1L3MBTL1HPGD
SCHEMBL22836546 0.78 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1L3MBTL1ADRA2B
SCHEMBL358973 0.78 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1L3MBTL1ADRA2B
SCHEMBL11415903 0.78 P2RX7 (0.44) ALDH1A1MAPTMAPK1EGFRHPGD
SCHEMBL28150154 0.78 BRD4 (0.46) ALDH1A1MAPTMAPK1L3MBTL1HPGD
SCHEMBL12730445 0.77 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1L3MBTL1ADRA2B
SCHEMBL20232562 0.77 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1L3MBTL1ADRA2B
SCHEMBL2476416 0.77 KDM4E (0.47) ALDH1A1MAPTMAPK1L3MBTL1EGFR

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-2274286-B1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF PROCTER & GAMBLE (US) 2015-08-05 EP disclosed