SCHEMBL6574394

SCHEMBL6574394

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 7/20 0.39
ALOX15 P16050 4/20 0.39
CYP3A4 P08684 4/20 0.39
MAPK1 P28482 4/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ADK P55263 2/20 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
SCHEMBL3790061 0.82 HTR6 (0.39) MAPTALDH1A1ALOX15CYP3A4TP53
SCHEMBL6570748 0.81 TDP1 (0.39) MAPTALDH1A1ALOX15CYP3A4MAPK1
SCHEMBL6571406 0.80 ADRA2A (0.40) MAPTALDH1A1ALOX15CYP3A4MAPK1
SCHEMBL6571412 0.79 APP (0.47) MAPTALDH1A1ALOX15CYP3A4TP53
SCHEMBL6573189 0.79 CYP3A4 (0.38) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL6571103 0.79 ALDH1A1 (0.56) MAPTALDH1A1ALOX15CYP3A4MAPK1
SCHEMBL3788714 0.79 ALDH1A1 (0.48) ALDH1A1TDP1KMT2ANPC1TSHR
SCHEMBL6571410 0.77 ALDH1A1 (0.46) MAPTALDH1A1CYP3A4MAPK1TP53
SCHEMBL6572471 0.77 NR4A1 (0.44) MAPTALDH1A1CYP3A4MAPK1TDP1
SCHEMBL6572130 0.76 SYK (0.38) MAPTALDH1A1MAPK1GAASMN1; 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