SCHEMBL6571090

SCHEMBL6571090

COCCN(CCOC)c1ccc(N)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
HDAC2 Q92769 1/20 0.38
LMNA P02545 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
PKM P14618 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL6570769 0.84 ALDH1A1 (0.44) MAPTALDH1A1MAPK1MEN1RAB9A
SCHEMBL6571371 0.83 MAOA (0.34) ALDH1A1
SCHEMBL6573539 0.82 ALDH1A1 (0.41) MAPTALDH1A1MEN1RAB9AKMT2A
SCHEMBL6572821 0.82 ALDH1A1 (0.37) MAPTALDH1A1RAB9AKMT2AHDAC2
SCHEMBL6574166 0.82 MAP4K4 (0.42) MEN1KMT2APOLB
SCHEMBL6572500 0.81 MAPT (0.40) MAPTMEN1KMT2A
SCHEMBL6571441 0.81 CYP3A4 (0.38) ALDH1A1CHRNB2CHRNA4
SCHEMBL6572429 0.81 TDO2 (0.42) MAPTALDH1A1KMT2AKDM4EHDAC2
SCHEMBL6570969 0.81 ADK (0.36) MAPTALDH1A1MEN1RAB9AKMT2A
SCHEMBL6573197 0.81 ALDH1A1 (0.43) MAPTALDH1A1MAPK1CHRNB2CHRNA4

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 5 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 claimed
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