SCHEMBL6571582

SCHEMBL6571582

COCCN(CCOC)c1ccc(N)cc1-c1cc(Br)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
GFER P55789 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CRHR1 P34998 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 3/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL6571296 0.88 GAA (0.40) GAAMGAMSIMGAM2POLB
SCHEMBL6570817 0.86 HDAC4 (0.39) GAAMAPTALDH1A1CRHR1
SCHEMBL6572154 0.85 MEN1 (0.47) GAAMAPTALDH1A1LMNACRHR1
SCHEMBL6573046 0.83 HTR7 (0.44) GAAMAPTALDH1A1LMNACRHR1
SCHEMBL6574535 0.82 FDPS (0.43) MAPTALDH1A1LMNARXFP1TSHR
SCHEMBL6574108 0.82 CRHR1 (0.33) MAPTALDH1A1CRHR1KDM4EMAPK1
SCHEMBL6572453 0.81 HDAC4 (0.37) GAAMAPTALDH1A1LMNACRHR1
SCHEMBL6572721 0.79 KDM4E (0.35) POLBMAPTALDH1A1LMNARXFP1
SCHEMBL6572020 0.78 CRHR1 (0.39) GAAMAPTCRHR1KDM4ETSHR
SCHEMBL6572544 0.78 MGAM (0.40) GAAMGAMSIMGAM2POLB

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