SCHEMBL6571506

SCHEMBL6571506

Nc1ccc(NCCO)c(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.47
RORB Q92753 2/20 0.47
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
MAOB P27338 2/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
FYN P06241 1/20 0.39
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 2/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
TOP2A P11388 1/20 0.37
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37

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
SCHEMBL6570938 0.87 KIF11 (0.46) MAOBKIF11PTGS1
SCHEMBL6574148 0.86 KDM4E (0.41) ADORA1FYNALDH1A1
SCHEMBL6570890 0.83 IDH2 (0.48) RORCRORBTSHRMAPK1ADORA1
SCHEMBL6570636 0.83 TAAR1 (0.45) ADORA1FYN
SCHEMBL6570922 0.82 PTGDR2 (0.44) MAPK1ADORA1ALDH1A1
SCHEMBL6570749 0.81 PIK3CG (0.41) ADORA1ALDH1A1
Hydrochloric Acid SCHEMBL6573152 0.81 PTGDR2 (0.43) MAPK1ADORA1ALDH1A1
SCHEMBL6573384 0.80 ADORA1 (0.51) ADORA1ADORA2AMAOBALDH1A1
SCHEMBL6570923 0.80 MAPT (0.37) ADORA1ALDH1A1HRH1HRH4
SCHEMBL6571957 0.79 PRSS1 (0.38) TSHRALDH1A1

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