SCHEMBL17059463

SCHEMBL17059463

C=Cc1ccnc2ccc(S(=O)(=O)CC3CCCO3)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.43
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
CXCR4 P61073 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL600409 0.84 AOC2 (0.42) AOC2CDK4CDK2CNR2ALDH1A1
SCHEMBL601536 0.74 RIPK2 (0.44) AOC2CDK4CDK2CNR2MEN1
SCHEMBL2592939 0.73 RIPK2 (0.62) CDK4CDK2
SCHEMBL17059494 0.72 TXNRD1 (0.39) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL17059467 0.70 RIPK2 (0.36) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL17059460 0.70 RIPK2 (0.48) KDM4E
SCHEMBL23370065 0.68 AOC2 (0.55) AOC2ALDH1A1SMN1; SMN2NR2F2RAB9A
SCHEMBL8643198 0.68 AOC2 (0.55) AOC2ALDH1A1SMN1; SMN2NR2F2RAB9A
SCHEMBL5140258 0.68 AOC2 (0.55) AOC2ALDH1A1SMN1; SMN2NR2F2RAB9A
SCHEMBL30361453 0.68 AOC2 (0.55) AOC2CDK4CDK2ALDH1A1SMN1; SMN2

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
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed