SCHEMBL6571144

SCHEMBL6571144

COCCNc1ccc(N)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
NCF1 P14598 2/20 0.44
KCNH3 Q9ULD8 3/20 0.42
PTGER4 P35408 1/20 0.42
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 3/20 0.40
CFTR P13569 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
ITK Q08881 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6570857 0.88 PTGER4 (0.39) ADRB2NCF1KCNH3PTGER4ALOX15
SCHEMBL6572109 0.87 PTGER4 (0.36) NCF1KCNH3PTGER4ALOX15ALDH1A1
SCHEMBL6571575 0.87 ALDH1A1 (0.41) NCF1KCNH3PTGER4ALOX15KDM4E
SCHEMBL6573372 0.87 MALT1 (0.42) NCF1KCNH3PTGER4ALOX15KDM4E
SCHEMBL6572277 0.86 KDM4E (0.40) KCNH3PTGER4KDM4EALDH1A1MEN1
SCHEMBL6572982 0.86 PTGER4 (0.40) NCF1KCNH3PTGER4ALOX15KDM4E
SCHEMBL6572041 0.86 GAA (0.47) KCNH3PTGER4ALOX15KDM4EALDH1A1
SCHEMBL6573249 0.85 PTGER4 (0.39) NCF1KCNH3PTGER4ALOX15KDM4E
SCHEMBL6570805 0.85 CYP1A2 (0.46) KCNH3ALOX15ALDH1A1MEN1LMNA
SCHEMBL6573234 0.85 PIK3CA (0.42) NCF1PTGER4ALOX15

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