SCHEMBL6570748

SCHEMBL6570748

CNc1ccc(N)c(-c2ccc(C)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 6/20 0.38
GAA P10253 2/20 0.38
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
APP P05067 3/20 0.36
SNCA P37840 1/20 0.36
EGFR P00533 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GFER P55789 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
SCHEMBL3790061 0.87 HTR6 (0.39) TDP1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL8170481 0.85 APP (0.49) TDP1CYP3A4SMN1; SMN2TP53THRB
SCHEMBL6573189 0.84 CYP3A4 (0.38) TDP1CYP3A4SMN1; SMN2ALOX15KIF11
SCHEMBL6571412 0.84 APP (0.47) TDP1CYP3A4TP53THRBALOX15
SCHEMBL3788714 0.83 ALDH1A1 (0.48) TDP1ALDH1A1TSHRNPC1MEN1
SCHEMBL6572471 0.81 NR4A1 (0.44) TDP1CYP3A4THRBMAPTGAA
SCHEMBL6574394 0.81 MAPT (0.40) TDP1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10713204 0.80 TDP1 (0.54) TDP1CYP3A4SMN1; SMN2TP53THRB
SCHEMBL6570788 0.80 KIF11 (0.61) MAPTGAAKIF11ALDH1A1MEN1
SCHEMBL6571858 0.79 HTR6 (0.32) TDP1CYP3A4THRBALOX15ALDH1A1

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