SCHEMBL3797665

SCHEMBL3797665

CCOC(=O)c1cc(S(C)(=O)=O)n(C(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
NR1H2 P55055 2/20 0.42
CHRNA7 P36544 2/20 0.41
CYP1A2 P05177 1/20 0.41
CA9 Q16790 2/20 0.40
GAA P10253 3/20 0.39
GLP1R P43220 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL14357206 0.81 KMT2A (0.44) KMT2ACYP1A2CA9GAAKDM4E
SCHEMBL574088 0.80 NPC1 (0.51) KMT2ACYP1A2GAAKDM4EMAPT
SCHEMBL9079717 0.79 CYP1A2 (0.45) KMT2ANR1H2CYP1A2CA9GAA
SCHEMBL15458737 0.78 CYP1A2 (0.44) KMT2ACYP1A2GAATP53KDM4E
SCHEMBL13278694 0.74 DYRK1A (0.42) KMT2ANR1H2CHRNA7CYP1A2CA9
SCHEMBL1232533 0.73 KMT2A (0.40) KMT2ACYP1A2GAATP53KDM4E
SCHEMBL17259226 0.73 KMT2A (0.40) KMT2ANR1H2CYP1A2GAATP53
SCHEMBL17259224 0.73 CHRNA7 (0.58) NR1H2CHRNA7CA9KDM4EMAPT
SCHEMBL4016328 0.72 CA9 (0.57) KMT2ANR1H2CA9GAAMAPT
SCHEMBL28913938 0.71 KMT2A (0.41) KMT2ANR1H2CYP1A2CA9GAA

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
EP-2146716-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 EP disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO disclosed