SCHEMBL7572467

SCHEMBL7572467

CN=C1Cc2ccccc2C=N1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 16/20 0.55
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL642263 0.71 TRPA1 (0.59) TRPA1
Morphanthridine SCHEMBL1150250 0.71 TRPA1 (1.00) TRPA1
SCHEMBL29911790 0.71 TRPA1 (0.59) TRPA1
SCHEMBL3632749 0.71 TRPA1 (0.59) TRPA1CYP11B2CYP11B1
Morphanthridine SCHEMBL1509656 0.69 TRPA1 (0.96) TRPA1
Hydrochloric Acid SCHEMBL11023474 0.69 TRPA1 (0.57) TRPA1
SCHEMBL14817734 0.68 TRPA1 (0.46) TRPA1
SCHEMBL12558442 0.67 TRPA1 (0.49) TRPA1
SCHEMBL20613152 0.67 TRPA1 (0.48) TRPA1CYP11B2CYP11B1PTGS2
SCHEMBL14361835 0.67 TRPA1 (0.53) TRPA1CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975730-B1 HYPOCHLORITE BLEACHING COMPOSITIONS AND DELIVERY SYSTEMS THEREFOR UNILEVER PLC (GB) 2002-09-18 EP disclosed
EP-0975730-A1 HYPOCHLORITE BLEACHING COMPOSITIONS AND DELIVERY SYSTEMS THEREFOR UNILEVER PLC (GB) 2000-02-02 EP disclosed
WO-1998046718-A1 HYPOCHLORITE BLEACHING COMPOSITIONS AND DELIVERY SYSTEMS THEREFOR UNILEVER PLC (GB) 1998-10-22 WO disclosed