SCHEMBL6572602

SCHEMBL6572602

Nc1ccc(-c2cc(N)ccc2N(CCO)CCO)c(N)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PABPC1 P11940 1/20 0.33
ALDH1A1 P00352 3/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CASP1 P29466 1/20 0.31
PTPRC P08575 2/20 0.30
APAF1 O14727 1/20 0.30
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6570710 0.87 TSHR (0.36) MEN1KMT2APABPC1ALDH1A1CDK5
SCHEMBL8640578 0.84 CASP1 (0.35) MEN1KMT2APABPC1ALDH1A1TP53
SCHEMBL6570840 0.83 ALDH1A1 (0.36) MEN1KMT2APABPC1ALDH1A1NPC1
SCHEMBL6571496 0.83 ALOX5 (0.36) MEN1KMT2APABPC1ALDH1A1CYP3A4
SCHEMBL6571550 0.80 CRHR1 (0.42) KMT2AALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL6571885 0.80 ALDH1A1 (0.34) MEN1KMT2APABPC1ALDH1A1
SCHEMBL6573255 0.80 CRHR1 (0.36) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6572419 0.80 MEN1 (0.40) MEN1KMT2APABPC1ALDH1A1CDK5
SCHEMBL6571486 0.79 USP7 (0.40) MEN1KMT2APABPC1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6572997 0.79 PTGDR2 (0.43) MEN1KMT2APABPC1ALDH1A1CDK5

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