SCHEMBL6570840

SCHEMBL6570840

Nc1ccc(-c2cc(N)ccc2N(CCO)CCO)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PABPC1 P11940 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
TP53 P04637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRKCZ Q05513 1/20 0.31
PSMD14 O00487 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL6571486 0.92 USP7 (0.40) ALDH1A1MEN1KMT2APABPC1CYP3A4
SCHEMBL6574001 0.90 FYN (0.33) ALDH1A1MEN1KMT2APABPC1PTGDR2
SCHEMBL6572686 0.90 ALDH1A1 (0.33) ALDH1A1MEN1KMT2APABPC1PTGDR2
SCHEMBL6574742 0.90 GCGR (0.37) ALDH1A1MEN1KMT2APABPC1TDP1
SCHEMBL6570740 0.90 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APABPC1KDM4E
SCHEMBL6571903 0.90 KMT2A (0.38) ALDH1A1MEN1KMT2APABPC1KDM4E
SCHEMBL6572396 0.90 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APABPC1KDM4E
SCHEMBL6571885 0.90 ALDH1A1 (0.34) ALDH1A1MEN1KMT2APABPC1PTGDR2
Hydrochloric Acid SCHEMBL6572997 0.88 PTGDR2 (0.43) ALDH1A1MEN1KMT2APABPC1KDM4E
SCHEMBL6573269 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP3A4TDP1

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