SCHEMBL3241682

SCHEMBL3241682

N#CCc1ccc(C(=O)N2Cc3ccccc3C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALOX15 P16050 3/20 0.44
TSHR P16473 2/20 0.44
SIRT1 Q96EB6 1/20 0.44
HDAC1 Q13547 2/20 0.43
PREP P48147 1/20 0.42
KCNN4 O15554 1/20 0.40
KCNA3 P22001 1/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
HDAC7 Q8WUI4 1/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 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
SCHEMBL6391108 0.84 KDM4E (0.45) KMT2AKDM4ESMN1; SMN2HTTALOX15
SCHEMBL8723658 0.80 KDM4E (0.44) KMT2AMEN1KDM4ESMN1; SMN2HTT
SCHEMBL3249783 0.79 HSP90AA1 (0.45) KMT2AMEN1KDM4ESMN1; SMN2HTT
SCHEMBL1206338 0.77 KDM4E (0.46) KMT2AMEN1KDM4ESMN1; SMN2HTT
SCHEMBL27840846 0.75 ACHE (0.47) KMT2AMEN1KDM4ESMN1; SMN2HTT
SCHEMBL1179178 0.75 HTT (0.44) KMT2AMEN1KDM4ESMN1; SMN2HTT
SCHEMBL1206981 0.73 CDK8 (0.38) KMT2AMEN1KDM4ESMN1; SMN2HTT
SCHEMBL8723662 0.72 KMT2A (0.45) KMT2AMEN1KDM4ESMN1; SMN2HTT
SCHEMBL1857626 0.72 KDM4E (0.41) KMT2AKDM4ESMN1; SMN2HTTNPC1
SCHEMBL15486904 0.72 ACHE (0.44) KMT2AMEN1KDM4ESMN1; SMN2HTT

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