SCHEMBL13495473

SCHEMBL13495473

COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.68
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP2C9 P11712 1/20 0.54
ACLY P53396 1/20 0.52
CPT2 P23786 1/20 0.52
CPT1A P50416 1/20 0.52
CPT1B Q92523 1/20 0.52

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
SCHEMBL13495471 0.88 GPR119 (0.60) GPR119MEN1KMT2ATP53MAPT
SCHEMBL3577040 0.88 MAPT (0.57) GPR119MEN1KMT2ATP53MAPT
SCHEMBL2898573 0.88 CPT1A (0.62) GPR119TP53MAPTSMN1; SMN2ACLY
SCHEMBL13495472 0.87 GPR119 (0.54) GPR119MEN1KMT2ATP53MAPT
SCHEMBL6357903 0.86 MAPT (0.63) GPR119MEN1KMT2ATP53MAPT
SCHEMBL2901001 0.85 CPT1A (0.61) GPR119MEN1KMT2ATP53MAPT
SCHEMBL3236823 0.84 MAPT (0.59) GPR119MEN1KMT2ATP53MAPT
SCHEMBL2904385 0.84 CPT1A (0.73) CPT2CPT1ACPT1B
SCHEMBL31396031 0.81 NLRP3 (0.61) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL3099054 0.80 ACLY (0.56) GPR119TP53MAPTCYP2C9ACLY

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
WO-2010017827-A1 6-SUBSTITUTED 1-SULFONYL-2, 3-DIHYDRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2010-02-18 WO disclosed