SCHEMBL6572508

SCHEMBL6572508

CNc1ccc(-c2cc(N)ccc2N)c(NC)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.33
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.31
RPS6KA2 Q15349 1/20 0.31
ALOX15 P16050 2/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
PRKCI P41743 1/20 0.31
HPGD P15428 2/20 0.31
BLM P54132 2/20 0.31

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
SCHEMBL6570907 0.87 HTR6 (0.37) HTR6PDE10AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL6572813 0.86 PRKCI (0.34) HTR6ALDH1A1SMN1; SMN2TDP1TP53
SCHEMBL6571922 0.83 TSHR (0.41) HTR6PDE10AALDH1A1CYP3A4TDP1
SCHEMBL6571083 0.82 CASP1 (0.38) HTR6ALDH1A1TSHRCASP1RPS6KA2
SCHEMBL6570909 0.81 PDE10A (0.44) HTR6PDE10AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8107404 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1NPC1TP53
SCHEMBL6572302 0.80 PRKCI (0.39) PDE10AALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL6574185 0.76 FCGR3B (0.33) PDE10AALDH1A1RPS6KA2HPGDKDM4E
SCHEMBL3789922 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP3A4TDP1NPC1
SCHEMBL6571324 0.75 PRKCI (0.37) PDE10AALDH1A1CYP3A4TDP1NPC1

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