SCHEMBL3456017

SCHEMBL3456017

COc1cc(C)ccc1S(=O)(=O)Nc1ccc(N2CCc3c(n[nH]c3-c3nc4cc(C)c(C)cc4[nH]3)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.42
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
NMT1 P30419 1/20 0.34
P2RX3 P56373 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 2/20 0.33
ALOX12 P18054 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL3455894 0.86 GAA (0.49) GAAMEN1KMT2APKMNMT1
SCHEMBL3455923 0.85 KMT2A (0.40) MEN1KMT2AKDM4ETP53NPC1
SCHEMBL14031961 0.82 KDM4E (0.38) GAAMEN1KMT2AKDM4ELMNA
SCHEMBL3463347 0.80 MCOLN3 (0.44) GAAKMT2APKMLMNATP53
SCHEMBL3456385 0.76 GRIN2D (0.39) GAAKMT2AKDM4ETP53NPC1
SCHEMBL3455883 0.74 GUSB (0.42) MEN1KMT2ALMNAALOX12NPC1
SCHEMBL3458954 0.69 CD4 (0.43) KDM4ENPC1RAB9A
SCHEMBL14032053 0.68 MAPT (0.58) GAAMEN1KMT2APKMKDM4E
SCHEMBL3455109 0.68 NPC1 (0.40) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL3455927 0.68 PKM (0.43) GAAMEN1KMT2APKMKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed