SCHEMBL6572982

SCHEMBL6572982

COCCNc1ccc(N)c(-c2ccc(O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.40
GAA P10253 4/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 4/20 0.38
THRB P10828 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CFTR P13569 1/20 0.36
MGAM O43451 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6570957 0.89 PTGER4 (0.40) PTGER4ALDH1A1THRBCYP3A4ALOX15
SCHEMBL6570857 0.89 PTGER4 (0.39) PTGER4KDM4EHSD17B10ALDH1A1CYP3A4
SCHEMBL6573643 0.89 PTGER4 (0.42) PTGER4HTTALDH1A1THRBCYP3A4
SCHEMBL6571575 0.87 ALDH1A1 (0.41) PTGER4GAAKDM4EHTTHSD17B10
SCHEMBL6572041 0.86 GAA (0.47) PTGER4GAAKDM4EHTTHSD17B10
SCHEMBL6572277 0.86 KDM4E (0.40) PTGER4GAAKDM4ECASP1HTT
SCHEMBL6571144 0.86 ADRB2 (0.44) PTGER4GAAKDM4EHTTHSD17B10
SCHEMBL6572191 0.85 PTGER4 (0.38) PTGER4ALDH1A1THRBCYP3A4ALOX15
SCHEMBL6573234 0.85 PIK3CA (0.42) PTGER4ALOX15NCF1EGFR
SCHEMBL6570977 0.85 PTGER4 (0.39) PTGER4GAAKDM4EALDH1A1THRB

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 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
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