SCHEMBL6574148

SCHEMBL6574148

Nc1cccc(-c2cc(N)ccc2NCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.40
FCGR3B O75015 1/20 0.40
FCGR1A P12314 1/20 0.40
FCGR2A P12318 1/20 0.40
MAP4K4 O95819 2/20 0.39
ADORA1 P30542 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
KIT P10721 1/20 0.35
CHRM3 P20309 2/20 0.35
PRSS1 P07477 1/20 0.35
TOP2B Q02880 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ASH1L Q9NR48 1/20 0.34
FYN P06241 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6570922 0.92 PTGDR2 (0.44) KDM4EALDH1A1MAOAMAP4K4ADORA1
SCHEMBL6570749 0.91 PIK3CG (0.41) KDM4EALDH1A1MAPTFCGR3BFCGR1A
Hydrochloric Acid SCHEMBL6573152 0.90 PTGDR2 (0.43) KDM4EALDH1A1MAOAMAP4K4ADORA1
SCHEMBL6570636 0.90 TAAR1 (0.45) MAPTADORA1CHRM3FYN
SCHEMBL6573384 0.90 ADORA1 (0.51) ALDH1A1MAPTADORA1SMN1; SMN2RECQL
SCHEMBL6570923 0.90 MAPT (0.37) KDM4EALDH1A1MAPTFCGR3BFCGR1A
SCHEMBL6571957 0.88 PRSS1 (0.38) KDM4EALDH1A1FCGR3BFCGR1AFCGR2A
SCHEMBL6571430 0.87 PRSS1 (0.37) ALDH1A1FCGR3BFCGR1AFCGR2APTGDR2
SCHEMBL6570723 0.86 TRIM24 (0.37) FCGR3BFCGR1AFCGR2AADORA1PTGDR2
SCHEMBL6572487 0.86 ALDH1A1 (0.44) ALDH1A1MAPTADORA1KITHSD17B10

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