SCHEMBL3455987

SCHEMBL3455987

COc1cccc(S(=O)(=O)N2CCc3c(n[nH]c3-c3nc4cc(C)c(C)cc4[nH]3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR6 P50406 3/20 0.41
AMY1A P0DUB6 2/20 0.40
ALDH1A1 P00352 2/20 0.39
AKR1C3 P42330 3/20 0.39
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CD4 P01730 1/20 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
SCHEMBL3455927 0.91 PKM (0.43) MAPTTSHRKDM4EKMT2AMEN1
SCHEMBL3457131 0.89 GRM5 (0.38) MAPTTSHRKDM4EKMT2AMEN1
SCHEMBL3458009 0.88 NPC1 (0.39) MAPTTSHRKDM4EKMT2AMEN1
SCHEMBL3461819 0.88 MAPT (0.43) MAPTTSHRKDM4EKMT2AMEN1
SCHEMBL3458954 0.86 CD4 (0.43) MAPTKDM4EALDH1A1ATMSMN1; SMN2
SCHEMBL3457087 0.84 MAPT (0.43) MAPTTSHRKDM4EKMT2AMEN1
SCHEMBL3463347 0.82 MCOLN3 (0.44) MAPTTSHRKMT2AUSP2AMY1A
SCHEMBL14031947 0.82 NPC1 (0.40) MAPTKDM4EKMT2AAMY1AALDH1A1
SCHEMBL3455109 0.81 NPC1 (0.40) MAPTKDM4EKMT2AMEN1AMY1A
SCHEMBL3461277 0.80 BRD4 (0.41) MAPTTSHRKDM4EKMT2AMEN1

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