SCHEMBL9865486

SCHEMBL9865486

O=S(=O)(NC1CC1)c1cccc(OCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
KAT8 Q9H7Z6 1/20 0.41
UCHL1 P09936 1/20 0.41
USP30 Q70CQ3 1/20 0.41
IDH2 P48735 1/20 0.40
CCR8 P51685 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
GRM5 P41594 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL9866569 0.80 AR (0.51) KMT2AMEN1KAT8SMN1; SMN2AR
SCHEMBL9867413 0.78 TRPV3 (0.46) KAT8TRPV3HTTALDH1A1SMN1; SMN2
SCHEMBL9866681 0.77 KAT8 (0.47) KMT2AMEN1KAT8TRPV3GRM5
SCHEMBL9734839 0.76 CA1 (0.50) KMT2AMEN1KAT8TRPV3GRM5
SCHEMBL9867278 0.76 ALDH1A1 (0.37) KMT2AMEN1RECQLALDH1A1SMN1; SMN2
SCHEMBL9865969 0.76 TRPV3 (0.45) KMT2AKAT8TRPV3HTTALDH1A1
SCHEMBL9867726 0.76 ALDH1A1 (0.39) KMT2AMEN1RECQLALDH1A1SMN1; SMN2
SCHEMBL9866578 0.75 TRPV3 (0.44) CYP2C19KAT8TRPV3HTTALDH1A1
SCHEMBL9866804 0.75 POLB (0.47) KMT2AMEN1KAT8TRPV3HTT
SCHEMBL9865599 0.74 KAT8 (0.41) KAT8TRPV3GRM5SMN1; SMN2AR

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 3 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
CN-1042144-A Pesticidal compound ICI PLC (GB) 1990-05-16 CN disclosed
EP-0356029-A2 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-28 EP disclosed