SCHEMBL11003306

SCHEMBL11003306

CS(=O)(=O)c1nc(N)c(C#N)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 2/20 0.40
USP8 P40818 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KHK P50053 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL10990688 0.84 USP8 (0.39) GLP1RUSP8ALDH1A1KDM4ELMNA
SCHEMBL29987465 0.75 ALDH1A1 (0.47) USP8ALDH1A1KDM4EGAAKHK
SCHEMBL10087543 0.75 ALDH1A1 (0.47) USP8ALDH1A1KDM4EGAAKHK
SCHEMBL3607648 0.73 KDM4E (0.44) USP8ALDH1A1KDM4EGAALMNA
SCHEMBL11117158 0.72 ALDH1A1 (0.46) USP8ALDH1A1KDM4EGAALMNA
SCHEMBL10989408 0.70 GLP1R (0.41) GLP1R
SCHEMBL10997715 0.70 USP8 (0.35) USP8ALDH1A1KDM4EGAAHPGD
SCHEMBL9640585 0.69 ALDH1A1 (0.43) GLP1RALDH1A1KDM4EGAALMNA
SCHEMBL8200210 0.69 ALDH1A1 (0.45) USP8ALDH1A1KDM4EGAAKHK
SCHEMBL11000333 0.68 KDM4E (0.40) USP8ALDH1A1KDM4EGAAKHK

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-4518599-A FUNGICIDES, BACTERICIDES FOR INDUSTRY, AGRICULTURE VETERINARY MEDICINE MERCK & CO., INC. (US) 1985-05-21 US disclosed