SCHEMBL6570969

SCHEMBL6570969

COCCN(CCOC)c1ccc(N)c(-c2cccc(Br)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 3/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
S100B P04271 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRG2 P18507 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
SCHEMBL6571371 0.87 MAOA (0.34) S100BTSHRALDH1A1MAP4K4
SCHEMBL6574166 0.86 MAP4K4 (0.42) MEN1POLBKMT2ADHPSMAP4K4
SCHEMBL6572821 0.86 ALDH1A1 (0.37) ADORA2AADORA1S100BMAPTHSD17B10
SCHEMBL6571984 0.85 S100B (0.36) ADKS100BKDM4ESMN1; SMN2MAPT
SCHEMBL6571441 0.85 CYP3A4 (0.38) ADORA1ALDH1A1MAP4K4
SCHEMBL6572500 0.85 MAPT (0.40) ADORA2AADORA1MAPTMEN1KMT2A
SCHEMBL6572429 0.85 TDO2 (0.42) ADORA2AADORA1KDM4EMAPTHSD17B10
SCHEMBL6573422 0.83 HRH3 (0.42) ADKS100BKDM4ESMN1; SMN2RXFP1
SCHEMBL6574055 0.82 PRMT6 (0.41) ADORA2AADORA1TSHRIKBKB
SCHEMBL6570954 0.81 CA12 (0.34) MEN1NPC1ALDH1A1RAB9AKMT2A

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