SCHEMBL6572273

SCHEMBL6572273

Nc1ccc(NCCO)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.46
KIF11 P52732 8/20 0.42
HDAC2 Q92769 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
PTGS1 P23219 3/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 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
SCHEMBL6572728 0.84 FCGR3B (0.38) HDAC2MEN1KMT2A
SCHEMBL6572149 0.83 KIF11 (0.40) KIF11HDAC2SLC1A3SLC1A2SLC1A1
SCHEMBL6572942 0.83 APP (0.41) MEN1KMT2A
SCHEMBL6570681 0.82 IDH2 (0.44) KIF11HDAC2SLC1A3SLC1A2SLC1A1
SCHEMBL6572249 0.82 MAPT (0.44) KIF11KITKDRMEN1LMNA
SCHEMBL6572071 0.82 NPC1 (0.39) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL6572585 0.81 ALDH1A1 (0.42) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL6570788 0.80 KIF11 (0.61) KIF11HDAC2SLC1A3SLC1A2SLC1A1
SCHEMBL6571323 0.80 ALDH1A1 (0.35) KDRMEN1LMNAKMT2A
SCHEMBL8106079 0.79 KIF11 (0.42) KIF11HDAC2SLC1A3SLC1A2SLC1A1

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 3 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