SCHEMBL8322697

SCHEMBL8322697

O=C(Nc1ccc(O)c([N+](=O)[O-])c1)OCCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
EGFR P00533 1/20 0.46
P2RX1 P51575 1/20 0.45
AURKB Q96GD4 1/20 0.43
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
GPR35 Q9HC97 1/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 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
SCHEMBL18134021 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8445302 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8799965 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7213151 0.80 ALDH1A1 (0.56) ALDH1A1EGFRP2RX1AURKBALDH5A1
SCHEMBL12916012 0.79 MAPT (0.62) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL7807252 0.79 MAPT (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8522113 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8321723 0.78 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7809526 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL9148847 0.77 MAPT (0.58) ALDH1A1EGFRMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990355-A AN OXIDATIVE DYES FOR HAIR, FREE OF HYDROGEN PEROXIDE, EASIER TO USE, MILDER, AND BETTER TOLERATED BECAUSE THE COLOR DEVELOPMENT IS THROUGH AIR HANS SCHWARZKOPF GMBH & CO. KG. (DE) 1999-11-23 US disclosed
US-5676706-A HYDROGEN PEROXIDE-FREE HAIR COLORS; COLORFASTNESS HANS SCHWARZKOPF GMBH & CO. KG. (DE) 1997-10-14 US disclosed
EP-0709365-A1 Substituted 2,4-diaminophenols, process for their preparation and hair dyes containing them Hans Schwarzkopf GmbH (DE) 1996-05-01 EP disclosed