SCHEMBL6572960

SCHEMBL6572960

COCCNc1ccc(N)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.51
NCF1 P14598 2/20 0.50
ADRB2 P07550 1/20 0.44
ALOX15 P16050 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KCNH3 Q9ULD8 1/20 0.39
HCAR3 P49019 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
KCNN4 O15554 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 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
Hydrochloric Acid SCHEMBL6572054 0.99 PTGER4 (0.50) PTGER4NCF1ADRB2ALOX15PTGDR2
SCHEMBL6570689 0.91 PTGER4 (0.48) PTGER4NCF1ALOX15KDM4EALDH1A1
SCHEMBL6572005 0.91 PTGER4 (0.50) PTGER4NCF1ADRB2ALOX15KDM4E
SCHEMBL6572456 0.88 PTGER4 (0.50) PTGER4NCF1KDM4EALDH1A1MAPT
SCHEMBL6570713 0.87 PTGER4 (0.47) PTGER4NCF1ALOX15KDM4EALDH1A1
SCHEMBL6572884 0.86 PTGER4 (0.46) PTGER4NCF1KDM4EALDH1A1MAPT
SCHEMBL6573105 0.86 PTGER4 (0.49) PTGER4NCF1KDM4EALDH1A1MAPT
SCHEMBL6572731 0.86 PTGER4 (0.46) PTGER4NCF1ALOX15KDM4EALDH1A1
SCHEMBL6572075 0.85 PTGER4 (0.46) PTGER4NCF1ALOX15ALDH1A1MAPT
SCHEMBL6571509 0.85 CYP3A4 (0.46) PTGER4NCF1ALOX15ALDH1A1MAPT

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