SCHEMBL7863643

SCHEMBL7863643

CON=C(C)c1ccc(F)cc1Br.CON=CCc1ccc(Br)c(Br)c1.CON=CCc1ccccc1Br

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL7777668 0.92 TRPA1 (0.35) TRPA1
SCHEMBL7868306 0.81
SCHEMBL7571037 0.78 HIF1A (0.35)
SCHEMBL7863641 0.74 CASP3 (0.40) TRPA1
SCHEMBL6815992 0.74 TRPA1 (0.39) TRPA1
SCHEMBL6815999 0.74 TRPA1 (0.39) TRPA1
SCHEMBL7777665 0.72 SMN1; SMN2 (0.38) TRPA1
SCHEMBL7717493 0.71 KDM4E (0.39) TRPA1
SCHEMBL7862677 0.70 SLC6A4 (0.36)
SCHEMBL7575131 0.69 AKR1B1 (0.36) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed