SCHEMBL6571992

SCHEMBL6571992

Nc1ccc(NCCO)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.52
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 9/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.43
THRB P10828 1/20 0.43
HDAC2 Q92769 1/20 0.42
MITF O75030 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL6574148 0.84 KDM4E (0.41) ALDH1A1MAPTKDM4E
SCHEMBL6571132 0.84 ALDH1A1 (0.43) PKMKMT2AALDH1A1MAPTKDM4E
SCHEMBL6571966 0.82 KMT2A (0.64) PKMTSHRTDP1KMT2AALDH1A1
SCHEMBL6570922 0.80 PTGDR2 (0.44) TDP1ALDH1A1KDM4EGAAMITF
SCHEMBL6570749 0.79 PIK3CG (0.41) TDP1ALDH1A1MAPTKDM4EGAA
Hydrochloric Acid SCHEMBL6573152 0.79 PTGDR2 (0.43) TDP1ALDH1A1KDM4EGAAMAPK1
SCHEMBL6570636 0.78 TAAR1 (0.45) MAPT
SCHEMBL6573384 0.78 ADORA1 (0.51) PKMKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6570923 0.78 MAPT (0.37) KMT2AALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL6572476 0.78 ALDH1A1 (0.47) PKMTSHRTDP1KMT2AALDH1A1

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