SCHEMBL6572513

SCHEMBL6572513

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IKBKB O14920 1/20 0.39
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL22345011 0.86 MAOA (0.44) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL6011288 0.85 KDM4E (0.46) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL2478623 0.84 MAOA (0.54) MEN1KMT2AKDM4ERAB9AMAPT
Hydrochloric Acid SCHEMBL6574391 0.82 MAOA (0.52) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL28202783 0.81 MAPT (0.44) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL2332768 0.80 ALDH1A1 (0.58) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL5687581 0.79 MAPT (0.45) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL21201284 0.78 MAPT (0.44) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL6572736 0.78 ALDH1A1 (0.50) MEN1KMT2AKDM4EMAPTTP53
SCHEMBL29460321 0.77 ALDH1A1 (0.58) MEN1KMT2ARAB9AMAPTNPC1

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