SCHEMBL6570769

SCHEMBL6570769

Nc1ccc(N(CCO)CCO)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 6/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
PKM P14618 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HDAC2 Q92769 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6571090 0.84 MAPT (0.42) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6570998 0.81 MAPT (0.38) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL6571445 0.81 KMT2A (0.43) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL23550 0.81 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6571458 0.80 CYP3A4 (0.38) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL6571005 0.80 TAAR1 (0.39) LMNAMEN1KMT2APOLBTDP1
SCHEMBL6574162 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBTSHR
Hydrochloric Acid SCHEMBL20267626 0.80 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6573422 0.79 HRH3 (0.42) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6571701 0.79 MAPT (0.38) ALDH1A1LMNAMEN1KMT2APOLB

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