SCHEMBL6572419

SCHEMBL6572419

Nc1ccc(N(CCO)CCO)c(-c2ccccc2O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PABPC1 P11940 1/20 0.40
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
BCL2L1 Q07817 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
BRD4 O60885 1/20 0.35
NR1I2 O75469 1/20 0.35
SMARCA2 P51531 1/20 0.35

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 0.89 TSHR (0.36) MEN1KMT2APABPC1ALDH1A1HSD17B10
SCHEMBL6571496 0.85 ALOX5 (0.36) MEN1KMT2APABPC1ALDH1A1HSD17B10
SCHEMBL6574139 0.84 PLA2G7 (0.50) MEN1KMT2APABPC1ALDH1A1SMN1; SMN2
SCHEMBL6570701 0.84 PLA2G7 (0.43) MEN1KMT2APABPC1ALDH1A1HSD17B10
SCHEMBL6573270 0.84 MEN1 (0.39) MEN1KMT2APABPC1ALDH1A1HPGD
SCHEMBL6573015 0.83 CRHR1 (0.36) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL6572997 0.81 PTGDR2 (0.43) MEN1KMT2APABPC1ALDH1A1HSD17B10
SCHEMBL6572103 0.81 MEN1 (0.38) MEN1KMT2APABPC1ALDH1A1HPGD
SCHEMBL6571026 0.80 MEN1 (0.40) MEN1KMT2APABPC1ALDH1A1HPGD
SCHEMBL6571978 0.80 HTR7 (0.41) MEN1KMT2APABPC1HSD17B10TSHR

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