SCHEMBL16092557

SCHEMBL16092557

CCCN(CCC)S(=O)(=O)c1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.39
▸ CA12 O43570 7/20 0.35
▸ CA9 Q16790 7/20 0.35
▸ CA2 P00918 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ SLC22A8 Q8TCC7 1/20 0.35
▸ ABCC2 Q92887 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ UGT1A7 Q9HAW7 1/20 0.35
▸ SLC22A11 Q9NSA0 1/20 0.35
▸ CA1 P00915 5/20 0.35
▸ KDM5A P29375 5/20 0.34
▸ KDM5C P41229 2/20 0.34
▸ KDM5B Q9UGL1 2/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM3A Q9Y4C1 1/20 0.34
▸ P4HB P07237 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34

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
SCHEMBL16092320 0.87 KDM5A (0.36) KDM5AKDM5CKDM5BKDM4D
SCHEMBL16092530 0.85 GCK (0.38) ADORA2BKDM5AKDM5CKDM5BKDM4D
SCHEMBL16092242 0.80 KDM5B (0.44) KDM5AKDM5CKDM5BKDM4D
SCHEMBL16092317 0.80 KDM5A (0.48) KDM5AKDM5CKDM5BKDM4D
SCHEMBL16092436 0.79 KDM5B (0.38) KDM5AKDM5CKDM5BKDM4D
SCHEMBL16092238 0.79 CSNK2A1 (0.39) KDM5AKDM5CKDM5BKDM4D
SCHEMBL16092513 0.79 KDM5A (0.46) KDM5AKDM5CKDM5BKDM4DALDH1A1
SCHEMBL16092523 0.79 KDM5A (0.49) KDM5AKDM5CKDM5BKDM4DALDH1A1
SCHEMBL16092249 0.79 KDM5A (0.47) KDM5AKDM5CKDM5BKDM4DALDH1A1
SCHEMBL17547839 0.78 KDM5B (0.44) KDM5AKDM5CKDM5B

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
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 — — WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 — — WO disclosed
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