SCHEMBL9865599

SCHEMBL9865599

O=S(=O)(NCC(F)(F)C(F)(F)F)c1cccc(OCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 1/20 0.41
AR P10275 5/20 0.37
TRPV3 Q8NET8 1/20 0.36
GRM5 P41594 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ADAMTS4 O75173 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 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
SCHEMBL9865825 0.79 NFE2L2 (0.33) CA12CA1CA2CA9
SCHEMBL9865969 0.78 TRPV3 (0.45) KAT8ARTRPV3CA12CA2
SCHEMBL9866569 0.77 AR (0.51) KAT8ARNPC1HPGDRAB9A
SCHEMBL9866804 0.77 POLB (0.47) KAT8TRPV3LMNANPC1HPGD
SCHEMBL9867413 0.75 TRPV3 (0.46) KAT8ARTRPV3ADAMTS4MMP13
SCHEMBL9865486 0.74 KMT2A (0.43) KAT8ARTRPV3GRM5SMN1; SMN2
SCHEMBL9866681 0.74 KAT8 (0.47) KAT8TRPV3GRM5ADAMTS4LMNA
SCHEMBL9734839 0.74 CA1 (0.50) KAT8TRPV3GRM5CA12CA1
SCHEMBL9866578 0.72 TRPV3 (0.44) KAT8ARTRPV3ADAMTS4MMP13
SCHEMBL2524154 0.71 L3MBTL1 (0.52) TRPV3GRM5NUDT1LMNAHDAC6

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
US-4987141-A DERIVATIVES OF BENZENE OR PYRIDINE HAVING SULFONATE AND SULFENYL, SULFONIMIDE OR SULFONAMIDE GROUPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-22 US disclosed
EP-0356029-A2 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-28 EP disclosed