SCHEMBL6572456

SCHEMBL6572456

COCCNc1ccc(N)cc1-c1cc(N)cc(N)c1

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 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.39
HCAR3 P49019 1/20 0.37
NQO2 P16083 1/20 0.35
RAB9A P51151 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL6572005 0.91 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6572304 0.90 PTGER4 (0.48) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6571173 0.88 PTGER4 (0.49) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6570689 0.88 PTGER4 (0.48) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6572960 0.88 PTGER4 (0.51) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6570713 0.87 PTGER4 (0.47) PTGER4NCF1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL6572054 0.87 PTGER4 (0.50) PTGER4NCF1ALDH1A1MAPTHCAR3
SCHEMBL6572731 0.85 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTLMNA
SCHEMBL6572884 0.85 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTRAB9A
SCHEMBL6573105 0.85 PTGER4 (0.49) PTGER4NCF1ALDH1A1MAPTLMNA

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