SCHEMBL6165219

SCHEMBL6165219

COc1ccnc(C(Cl)Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.55
▸ CCR5 P51681 1/20 0.55
▸ CCR8 P51685 1/20 0.55
▸ NOS3 P29474 2/20 0.52
▸ NOS1 P29475 2/20 0.52
▸ NOS2 P35228 2/20 0.52
▸ PLAU P00749 1/20 0.43
▸ NFE2L2 Q16236 8/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ DYRK1A Q13627 4/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2D6 P10635 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 SCHEMBL9688561 0.85 CCR1 (0.52) CCR1CCR5CCR8NOS3NOS1
SCHEMBL2627856 0.82 CCR1 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL31891559 0.80 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21056504 0.80 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL8325218 0.80 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL5664369 0.78 NOS3 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9688525 0.78 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL27028351 0.78 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL24128118 0.77 CCR1 (0.52) CCR1CCR5CCR8NOS3NOS1
Hydrochloric Acid SCHEMBL29767284 0.77 NOS3 (0.53) CCR1CCR5CCR8NOS3NOS1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109965-B1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2005-06-01 — — EP disclosed
EP-1109884-B1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2004-09-01 — — EP disclosed
EP-1433840-A1 Composition and method for bleaching a substrate UNILEVER PLC (GB) 2004-06-30 — — EP disclosed
EP-1087969-B1 BLEACH CATALYSTS AND FORMULATIONS CONTAINING THEM UNILEVER PLC (GB) 2003-04-09 — — EP disclosed
EP-1109884-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-06-27 — — EP disclosed
EP-1109965-A1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2001-06-27 — — EP disclosed
US-6245115-B1 N,N-BIS(PYRIDIN-2-YL-METHYL)-1,1-BIS(PYRIDIN-2-YL)-1-AMINOETHA NE COMPLEX WITH ACETONITRILE AND PERCHLORIC ACID, WHEREBY THE COMPLEX CATALYSES BLEACHING OF THE TEXTILE BY ATMOSPHERIC OXYGEN UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-06-12 — — US disclosed
US-6242409-B1 PERCHLORATE IRON COMPLEX OF ACETONITRILE AND N,N-BIS(PYRIDIN-2-YL-METHYL)-1,1-BIS(PYRIDIN-2-YL)-1-AMINOETHA NE, THE COMPLEX CATALYSING BLEACHING OF A SUBSTRATE BY THE ATMOSPHERIC OXYGEN; PEROXY BLEACH FREE. UNILEVER HOME & PERSONAL CARE USA 2001-06-05 — — US disclosed
EP-1087969-A1 BLEACH CATALYSTS AND FORMULATIONS CONTAINING THEM UNILEVER PLC (GB) 2001-04-04 — — EP disclosed
WO-2000012667-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2000-03-09 — — WO disclosed
WO-2000012808-A1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2000-03-09 — — WO disclosed
WO-1999065905-A1 BLEACH CATALYSTS AND FORMULATIONS CONTAINING THEM UNILEVER PLC (GB) 1999-12-23 — — WO disclosed
Send feedback