SCHEMBL4721863

SCHEMBL4721863

Cc1cc(-c2nn(-c3cc(N4CC(CO)C4)ccc3C(F)(F)F)c(=O)c3c(C(=O)O)csc23)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EIF4EBP1 Q13541 14/20 0.33
TRPA1 O75762 4/20 0.32
HPGDS O60760 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
TRPV4 Q9HBA0 2/20 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
SCHEMBL14101991 0.94 TRPA1 (0.32) TRPA1TRPV4
SCHEMBL4720381 0.92 TRPA1 (0.33) EIF4EBP1TRPA1TRPV4
SCHEMBL4722283 0.84 HPGDS (0.35) EIF4EBP1TRPA1HPGDSPRMT5WDR77
SCHEMBL4719630 0.79 CTSS (0.33)
SCHEMBL4718895 0.77 CYP3A4 (0.32)
SCHEMBL4723491 0.69 P2RX7 (0.36)
SCHEMBL4723495 0.69 P2RX7 (0.36)
SCHEMBL4722298 0.69 PDE4A (0.35)
SCHEMBL4722940 0.69 P2RX7 (0.40)
SCHEMBL4722935 0.69 P2RX7 (0.40)

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-1963282-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 WO disclosed