SCHEMBL6572033

SCHEMBL6572033

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
GLA P06280 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
PTGS2 P35354 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR2 Q13324 1/20 0.43
TSHR P16473 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
SCHEMBL6571132 0.83 ALDH1A1 (0.43) GLAKMT2AMEN1ALDH1A1MAPT
SCHEMBL6571966 0.81 KMT2A (0.64) MYCMAXPTGDR2KMT2AMEN1
SCHEMBL9650193 0.81 GLA (0.49) GLAKMT2AMEN1ALDH1A1MAPT
SCHEMBL3868568 0.80 MAPT (0.56) GLAKMT2AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL6534384 0.79 ELANE (0.55) KMT2AMEN1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL6534386 0.79 ELANE (0.55) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL10696913 0.77 POLB (0.50) MYCMAXPTGDR2KMT2AMEN1
SCHEMBL10442762 0.77 MEN1 (0.52) GLAKMT2AMEN1ALDH1A1POLB
SCHEMBL8930628 0.77 GLA (0.67) GLAKMT2AMEN1ALDH1A1MAPT
SCHEMBL6571461 0.77 CHEK1 (0.41) PTGDR2

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