SCHEMBL6572416

SCHEMBL6572416

COCCN(CCOC)c1ccc(N)c(-c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
VCAM1 P19320 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
GHSR Q92847 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34

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
SCHEMBL6572969 0.84 ALDH1A1 (0.50) ALDH1A1MAPTPOLBTDP1GAA
SCHEMBL6573539 0.81 ALDH1A1 (0.41) ALDH1A1MAPTPOLBVCAM1TDP1
SCHEMBL6571090 0.80 MAPT (0.42) ALDH1A1MAPTPOLBTDP1GAA
SCHEMBL6573203 0.80 ALDH1A1 (0.34) ALDH1A1MAPTTDP1GAAHTT
SCHEMBL6572502 0.80 S100B (0.40) ALDH1A1MAPTTDP1GAAHTT
SCHEMBL6570863 0.79 CRHR1 (0.39) ALDH1A1MAPTTDP1GAAHTT
SCHEMBL6571532 0.79 HTR7 (0.44) ALDH1A1MAPTPOLBTDP1RAB9A
SCHEMBL6571124 0.79 F2 (0.36) ALDH1A1POLBGAAHTTLMNA
SCHEMBL6570712 0.79 TUBB4A (0.38) ALDH1A1MAPTPOLBVCAM1TDP1
SCHEMBL6571801 0.78 ALDH1A1 (0.37) ALDH1A1GAAL3MBTL1HTTMEN1

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