SCHEMBL6572283

SCHEMBL6572283

COCCNc1ccc(N)c(-c2ccccc2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCF1 P14598 1/20 0.39
CYP1A2 P05177 5/20 0.37
KCNH3 Q9ULD8 4/20 0.37
CYP2C19 P33261 4/20 0.37
USP2 O75604 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
APEX1 P27695 1/20 0.37
CASP7 P55210 1/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6573372 0.89 MALT1 (0.42) PTGER4MALT1ALDH1A1HPGDHTT
SCHEMBL6570977 0.86 PTGER4 (0.39) PTGER4ALDH1A1NCF1KCNH3ALOX15
SCHEMBL6571383 0.86 PTGER4 (0.39) PTGER4ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6571994 0.85 PTGER4 (0.39) PTGER4ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6572807 0.85 CYP1A2 (0.49) PTGER4MALT1ALDH1A1HPGDHTT
SCHEMBL6573643 0.85 PTGER4 (0.42) PTGER4ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6570699 0.84 ALDH1A1 (0.50) MALT1ALDH1A1HPGDNCF1CYP1A2
SCHEMBL6572432 0.83 BRD4 (0.38) ALDH1A1HPGDSMN1; SMN2KCNH3ALOX15
SCHEMBL6571144 0.82 ADRB2 (0.44) PTGER4MALT1ALDH1A1HPGDHTT
SCHEMBL6574643 0.81 PTGER4 (0.40) PTGER4MALT1ALDH1A1NCF1CYP1A2

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