SCHEMBL6570771

SCHEMBL6570771

Nc1ccc(NCCO)c(-c2ccccc2C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.42
RECQL P46063 1/20 0.35
NQO1 P15559 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 3/20 0.35
CDC25A P30304 1/20 0.35
GLA P06280 1/20 0.35
NSD2 O96028 2/20 0.35
FGB P02675 1/20 0.35
MMP14 P50281 1/20 0.35
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL6571569 0.82 NPC1 (0.35) TOP2BALDH1A1MAPK1NPC1RAB9A
SCHEMBL6574155 0.81 ALDH1A1 (0.41) TOP2BRECQLNQO1ALDH1A1MAPK1
SCHEMBL6572743 0.80 TOP2B (0.39) TOP2BRECQLNQO1ALDH1A1MAPK1
SCHEMBL6572757 0.79 PLA2G7 (0.43) TOP2BRECQLALDH1A1MAPK1NPC1
SCHEMBL6572950 0.79 PLA2G7 (0.50) TOP2BRECQLALDH1A1NPC1RAB9A
SCHEMBL6571902 0.79 TOP2B (0.38) TOP2BRECQLALDH1A1MAPK1NPC1
SCHEMBL6572538 0.78 HTT (0.48) TOP2BRECQLALDH1A1MAPK1TDP1
SCHEMBL6570922 0.78 PTGDR2 (0.44) TOP2BRECQLALDH1A1MAPK1RAB9A
SCHEMBL6571917 0.78 TOP2B (0.35) TOP2BRECQLALDH1A1MAPK1NPC1
Hydrochloric Acid SCHEMBL6573152 0.77 PTGDR2 (0.43) TOP2BRECQLALDH1A1MAPK1SMN1; SMN2

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