SCHEMBL6574837

SCHEMBL6574837

O=[N+]([O-])c1ccc(N(CCO)CCO)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 1/20 0.49
PTGS2 P35354 2/20 0.47
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
CYP19A1 P11511 1/20 0.43
ELANE P08246 1/20 0.42
PTPRC P08575 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
S100A4 P26447 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
PDE4D Q08499 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
SCHEMBL6572674 0.82 ALDH1A1 (0.47) ALDH1A1LMNAPOLBRAB9AMAPT
SCHEMBL110420 0.79 ALDH1A1 (0.52) ALDH1A1LMNAPOLBTP53HTT
SCHEMBL6571915 0.79 ALDH1A1 (0.56) ALDH1A1PTGDR2LMNAPOLBRAB9A
SCHEMBL7809597 0.79 ALDH1A1 (0.52) ALDH1A1LMNAPOLBTP53HTT
SCHEMBL7472206 0.78 ALDH1A1 (0.55) ALDH1A1LMNAPOLBTP53HTT
SCHEMBL1984158 0.78 HSD17B10 (0.51) ALDH1A1LMNAPOLBTP53HTT
SCHEMBL2088798 0.78 ALDH1A1 (0.51) ALDH1A1LMNAPOLBTP53HTT
SCHEMBL9313579 0.76 ALDH1A1 (0.61) ALDH1A1LMNAPOLBMAPTHSP90AA1
SCHEMBL109354 0.75 NSD2 (0.38) ALDH1A1PTGDR2LMNAPOLBRAB9A
SCHEMBL8108406 0.75 HSD17B10 (0.51) ALDH1A1LMNAPOLBTP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed