SCHEMBL10389232

SCHEMBL10389232

CN(C#N)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
APOBEC3G Q9HC16 1/20 0.48
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR1I2 O75469 1/20 0.41
CCR5 P51681 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR6 P50406 2/20 0.41
C5AR1 P21730 1/20 0.40

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
SCHEMBL474123 0.81 APOBEC3G (0.50) KDM4EAPOBEC3GHSD11B1ALDH1A1KMT2A
Water SCHEMBL28154432 0.78 LMNA (0.64) KDM4EAPOBEC3GHSD11B1ALDH1A1KMT2A
SCHEMBL28247913 0.75 APOBEC3G (0.48) KDM4EAPOBEC3GHSD11B1ALDH1A1KMT2A
SCHEMBL11211293 0.75 APOBEC3G (0.58) KDM4EAPOBEC3GHSD11B1ALDH1A1KMT2A
SCHEMBL26413509 0.75 APOBEC3G (0.58) KDM4EAPOBEC3GHSD11B1ALDH1A1KMT2A
SCHEMBL182738 0.75 LMNA (0.67) KDM4EAPOBEC3GHSD11B1ALDH1A1KMT2A
SCHEMBL25518489 0.75 GLA (0.50) KDM4EAPOBEC3GHSD11B1ALDH1A1KMT2A
SCHEMBL28982160 0.74 CA2 (0.51) ALDH1A1KMT2AMEN1CA12HTT
SCHEMBL11505084 0.73 KDM4E (0.57) KDM4EAPOBEC3GHSD11B1ALDH1A1KMT2A
SCHEMBL13158950 0.73 TDP1 (0.54) KDM4EAPOBEC3GKMT2AMEN1CA12

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
US-4971620-A APPLYING TO FIELDS TO KILL WEEDS MITSUBISHI KASEI CORPORATION (JP) 1990-11-20 US disclosed