SCHEMBL6572109

SCHEMBL6572109

COCCNc1ccc(N)c(-c2cccc(N)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
NCF1 P14598 1/20 0.36
ALOX15 P16050 1/20 0.36
USP28 Q96RU2 1/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
KCNH3 Q9ULD8 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CDK5 Q00535 1/20 0.34
KMT2A Q03164 1/20 0.34
CDK5R1 Q15078 1/20 0.34
MAOA P21397 1/20 0.34
MAP4K4 O95819 1/20 0.34
FYN P06241 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6573249 0.87 PTGER4 (0.39) PTGER4NCF1ALOX15KCNH3ALDH1A1
SCHEMBL6571144 0.87 ADRB2 (0.44) PTGER4NCF1ALOX15KCNH3ALDH1A1
SCHEMBL6570805 0.87 CYP1A2 (0.46) ALOX15KCNH3ALDH1A1MAPTMEN1
SCHEMBL6573234 0.87 PIK3CA (0.42) PTGER4NCF1ALOX15MAP4K4FYN
SCHEMBL6570857 0.85 PTGER4 (0.39) PTGER4NCF1ALOX15KCNH3ALDH1A1
SCHEMBL6574643 0.84 PTGER4 (0.40) PTGER4NCF1ALOX15KCNH3ALDH1A1
SCHEMBL6572047 0.82 FCGR3B (0.40) USP28ALDH1A1MAPTMEN1KMT2A
SCHEMBL6572191 0.82 PTGER4 (0.38) PTGER4NCF1ALOX15KCNH3ALDH1A1
SCHEMBL3218044 0.81 KCNH3 (0.45) PTGER4NCF1KCNH3ALDH1A1MAPT
SCHEMBL6571575 0.81 ALDH1A1 (0.41) PTGER4NCF1ALOX15KCNH3ALDH1A1

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 3 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