SCHEMBL7017231

SCHEMBL7017231

Cc1cc(N2CCC(N(CCNC(=O)OC(C)(C)C)C(=O)C(Cc3ccc4cc(Cl)ccc4c3)=S(=O)=O)CC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.45
F2 P00734 1/20 0.45
PLAT P00750 1/20 0.45
KLKB1 P03952 1/20 0.45
WNT3A P56704 1/20 0.33
BRD4 O60885 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
SCHEMBL7017235 0.84 F10 (0.47) F10F2PLATKLKB1
SCHEMBL7016357 0.80 F10 (0.68) F10F2PLATKLKB1
SCHEMBL7020203 0.76 F10 (0.48) F10
SCHEMBL7020200 0.73 F10 (0.44) F10F2PLATKLKB1
SCHEMBL7018207 0.73 F10 (0.44) F10
SCHEMBL7020195 0.71 F10 (0.72) F10F2PLATKLKB1
SCHEMBL7009853 0.70 F10 (0.75) F10F2PLATKLKB1
SCHEMBL7015331 0.69 F10 (0.74) F10F2PLATKLKB1
SCHEMBL6066437 0.69 CKS1B (0.54) F10
SCHEMBL7016479 0.68 F10 (0.71) F10F2PLATKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP disclosed