SCHEMBL7017235

SCHEMBL7017235

Cc1cc(N2CCC(N(CCNC(=O)OC(C)(C)C)C(=O)CC(c3ccc4cc(Cl)ccc4c3)=S(=O)=O)CC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.47
F2 P00734 1/20 0.47
PLAT P00750 1/20 0.47
KLKB1 P03952 1/20 0.47
MAPK8 P45983 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
EIF2AK4 Q9P2K8 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
SCHEMBL7020203 0.92 F10 (0.48) F10
SCHEMBL7017231 0.84 F10 (0.45) F10F2PLATKLKB1
SCHEMBL7016357 0.83 F10 (0.68) F10F2PLATKLKB1
SCHEMBL7020195 0.74 F10 (0.72) F10F2PLATKLKB1
SCHEMBL7018210 0.74 F10 (0.47) F10
SCHEMBL7009853 0.73 F10 (0.75) F10F2PLATKLKB1
SCHEMBL7015331 0.72 F10 (0.74) F10F2PLATKLKB1
SCHEMBL7016479 0.71 F10 (0.71) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL7018186 0.70 F10 (0.75) F10F2PLATKLKB1
SCHEMBL6066437 0.69 CKS1B (0.54) F10

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