SCHEMBL6570979

SCHEMBL6570979

SCOc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL890923 0.86 NQO1 (0.47) APPLMNAL3MBTL1LTA4HPTGS2
SCHEMBL7672291 0.80 KDM4E (0.48) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL6557649 0.78 MAOB (0.57) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL6059021 0.78 APP (0.50) APPKDM4EALDH1A1CYP2A6DRD4
SCHEMBL17445905 0.76 ATM (0.60) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL18235025 0.76 DRD4 (0.57) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL7867839 0.76 NQO1 (0.39) APPLTA4H
SCHEMBL9080991 0.76 APP (0.48) APPKDM4EALDH1A1CYP2A6DRD4
SCHEMBL3328295 0.74 APP (0.52) APPKDM4EALDH1A1CYP2A6DRD4
SCHEMBL2494430 0.74 NQO1 (0.38) APP

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 4 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 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