SCHEMBL6572491

SCHEMBL6572491

Nc1ccc(N(CCO)CCO)c(-c2cccc(Br)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 5/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
PABPC1 P11940 1/20 0.35
EGFR P00533 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
HK1 P19367 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL6574565 0.88 MAPT (0.40) MAPTMEN1KMT2AKDM4EPABPC1
SCHEMBL6572396 0.85 ALDH1A1 (0.36) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL6572182 0.84 PIK3CG (0.41) MEN1KMT2APABPC1EGFRALDH1A1
Hydrochloric Acid SCHEMBL6572997 0.84 PTGDR2 (0.43) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL6572058 0.83 TAAR1 (0.45) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL6570856 0.83 ALDH1A1 (0.38) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL6572172 0.83 STK4 (0.45) MEN1KMT2ARAB9ANPC1PABPC1
SCHEMBL6572721 0.83 KDM4E (0.35) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL6570840 0.82 ALDH1A1 (0.36) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL6572448 0.80 ALDH1A1 (0.44) MAPTSMN1; SMN2HSD17B10EGFRALDH1A1

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