SCHEMBL3249783

SCHEMBL3249783

CC(C)(C#N)c1ccc(C(=O)N2Cc3ccccc3C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
KCNN4 O15554 1/20 0.41
KCNA3 P22001 1/20 0.41
ACHE P22303 4/20 0.39
BACE1 P56817 3/20 0.39
IDH1 O75874 2/20 0.39
KMT2A Q03164 3/20 0.38
STING1 Q86WV6 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 2/20 0.36

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
SCHEMBL6391108 0.81 KDM4E (0.45) SMN1; SMN2KDM4EHTTKCNN4KCNA3
SCHEMBL3241682 0.79 KMT2A (0.46) SMN1; SMN2KDM4EHTTKCNN4KCNA3
SCHEMBL1206338 0.74 KDM4E (0.46) SMN1; SMN2KDM4EHTTKCNN4KCNA3
SCHEMBL27840846 0.72 ACHE (0.47) SMN1; SMN2KDM4EHTTKCNN4KCNA3
SCHEMBL1257999 0.72 ACHE (0.41) SMN1; SMN2KDM4EHTTKCNN4KCNA3
SCHEMBL1179178 0.72 HTT (0.44) SMN1; SMN2KDM4EHTTKCNN4KCNA3
SCHEMBL8723662 0.72 KMT2A (0.45) SMN1; SMN2KDM4EHTTKCNN4KCNA3
SCHEMBL15486904 0.72 ACHE (0.44) SMN1; SMN2KDM4EHTTKCNN4KCNA3
SCHEMBL1063629 0.70 HDAC1 (0.67)
SCHEMBL8723658 0.69 KDM4E (0.44) SMN1; SMN2KDM4EHTTKCNN4KCNA3

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-2010033824-A1 SULFONAMIDE DERIVATIVES AS INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-03-25 WO disclosed