SCHEMBL6572005

SCHEMBL6572005

COCCNc1ccc(N)cc1-c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.50
NCF1 P14598 2/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.39
HCAR3 P49019 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NQO2 P16083 1/20 0.35
RAB9A P51151 2/20 0.34
KCNN4 O15554 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
ADRB2 P07550 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL6570713 0.93 PTGER4 (0.47) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6572731 0.91 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6573105 0.91 PTGER4 (0.49) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6572884 0.91 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTRAB9A
SCHEMBL6572960 0.91 PTGER4 (0.51) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6572456 0.91 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL6572054 0.90 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6571145 0.89 ALDH1A1 (0.46) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6570689 0.88 PTGER4 (0.48) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6573705 0.88 PTGER4 (0.43) PTGER4NCF1ALDH1A1MAPTPDE3B

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