SCHEMBL6572674

SCHEMBL6572674

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
LMNA P02545 4/20 0.43
MAPT P10636 5/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 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
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 2/20 0.38
PELI1 Q96FA3 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 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
SCHEMBL6573197 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL6574565 0.83 MAPT (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6574837 0.82 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMAPK1MEN1
SCHEMBL6572182 0.79 PIK3CG (0.41) ALDH1A1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL6570769 0.79 ALDH1A1 (0.44) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL6572068 0.79 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL6572997 0.79 PTGDR2 (0.43) ALDH1A1LMNAMAPTKDM4EMAPK1
SCHEMBL6572172 0.78 STK4 (0.45) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6570856 0.78 ALDH1A1 (0.38) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL6572058 0.78 TAAR1 (0.45) MAPTKDM4EMEN1KMT2ANPC1

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