SCHEMBL6570923

SCHEMBL6570923

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 1/20 0.35
EGFR P00533 3/20 0.35
FCGR3B O75015 1/20 0.34
FCGR1A P12314 1/20 0.34
FCGR2A P12318 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
LMNA P02545 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
SCHEMBL6574148 0.90 KDM4E (0.41) MAPTKDM4ESMN1; SMN2HSD17B10ADORA1
SCHEMBL6570671 0.85 CYP1A2 (0.43) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL6570922 0.85 PTGDR2 (0.44) KDM4ERAB9AADORA1ALDH1A1HPGD
SCHEMBL6570749 0.84 PIK3CG (0.41) MAPTKDM4EADORA1FCGR3BFCGR1A
Hydrochloric Acid SCHEMBL6573152 0.84 PTGDR2 (0.43) KDM4ESMN1; SMN2ADORA1ALDH1A1HPGD
SCHEMBL6570636 0.83 TAAR1 (0.45) MAPTADORA1EGFRPOLBTAAR1
SCHEMBL6573384 0.83 ADORA1 (0.51) MAPTSMN1; SMN2KMT2AL3MBTL1ADORA1
SCHEMBL6571957 0.82 PRSS1 (0.38) KDM4EKMT2ATP53FCGR3BFCGR1A
SCHEMBL6571424 0.82 EGFR (0.39) MAPTKDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL6571430 0.81 PRSS1 (0.37) KMT2AFCGR3BFCGR1AFCGR2AALDH1A1

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 3 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