SCHEMBL6570689

SCHEMBL6570689

COCCNc1ccc(N)cc1-c1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.48
NCF1 P14598 2/20 0.44
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
CHRM3 P20309 4/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.37
MAOA P21397 1/20 0.37
MAP4K4 O95819 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL6572960 0.91 PTGER4 (0.51) PTGER4NCF1ALDH1A1MAPTKDM4E
SCHEMBL6572075 0.91 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTCHRM3
SCHEMBL6571509 0.91 CYP3A4 (0.46) PTGER4NCF1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6572054 0.90 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTKDM4E
SCHEMBL6572456 0.88 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTKDM4E
SCHEMBL6572005 0.88 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTKDM4E
SCHEMBL6570713 0.84 PTGER4 (0.47) PTGER4NCF1ALDH1A1MAPTKDM4E
SCHEMBL6572731 0.83 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTKDM4E
SCHEMBL6571173 0.83 PTGER4 (0.49) PTGER4NCF1ALDH1A1MAPTKDM4E
SCHEMBL6572884 0.83 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTKDM4E

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