SCHEMBL9869170

SCHEMBL9869170

CCCN(C)S(=O)(=O)c1cccc(F)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ESR1 P03372 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 3/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9866361 0.87 KMT2A (0.35) KDM4EMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL9865871 0.86 L3MBTL1 (0.41) SMN1; SMN2KMT2ATDP1L3MBTL1TSHR
SCHEMBL10374044 0.84 SMN1; SMN2 (0.36) KDM4EMAPTSMN1; SMN2KMT2ATDP1
SCHEMBL9867797 0.77 MEN1 (0.33) KMT2AL3MBTL1MEN1CYP1A2CYP3A4
SCHEMBL9869217 0.74 KDM4E (0.33) KDM4EMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL9866776 0.73 SMN1; SMN2 (0.37) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL9866582 0.73 BCHE (0.40) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL12319048 0.70 LOX (0.41) MAPTKMT2AHSD17B10MEN1LMNA
SCHEMBL11812003 0.68 TDP1 (0.53) KDM4ESMN1; SMN2KMT2ATDP1HSD17B10
SCHEMBL9289307 0.67 TDP1 (0.59) KDM4EMAPTSMN1; SMN2KMT2ATDP1

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