SCHEMBL9867995

SCHEMBL9867995

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAP2K4 P45985 1/20 0.39
PARG Q86W56 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL27349980 0.78 ALDH1A1 (0.39) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL22163647 0.77 PTGS1 (0.33)
SCHEMBL9868435 0.75 L3MBTL1 (0.38) KMT2ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL9867726 0.74 ALDH1A1 (0.39) KMT2AKDM4ERECQLSMN1; SMN2ALDH1A1
SCHEMBL9867278 0.72 ALDH1A1 (0.37) KMT2AKDM4ERECQLSMN1; SMN2ALDH1A1
SCHEMBL9378913 0.71 KIF18A (0.47) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL9868009 0.71 KEAP1 (0.48) KMT2AALDH1A1PKMMAPT
SCHEMBL9866654 0.71 ALDH1A1 (0.38) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL9865486 0.70 KMT2A (0.43) KMT2ARECQLSMN1; SMN2ALDH1A1HTT
SCHEMBL9376409 0.69 CA2 (0.38) LMNA

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