SCHEMBL3461819

SCHEMBL3461819

Cc1cc2nc(-c3[nH]nc4c3CCN(S(=O)(=O)c3cccc(Cl)c3)C4)[nH]c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 3/20 0.40
GUSB P08236 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
AMY1A P0DUB6 1/20 0.36
SCD O00767 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
ATM Q13315 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
AKR1C3 P42330 3/20 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
SCHEMBL3457087 0.91 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1GUSB
SCHEMBL3457131 0.91 GRM5 (0.38) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3458009 0.90 NPC1 (0.39) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3455987 0.88 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3458954 0.87 CD4 (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3455272 0.85 HTR6 (0.43) MAPTKMT2AMEN1ALDH1A1GUSB
SCHEMBL3459484 0.85 NPC1 (0.39) MAPTKMT2AMEN1GUSBLMNA
SCHEMBL3455927 0.84 PKM (0.43) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL14031947 0.83 NPC1 (0.40) MAPTKMT2AALDH1A1SMN1; SMN2CYP2C19
SCHEMBL3455109 0.83 NPC1 (0.40) MAPTKMT2AMEN1ALDH1A1SMN1; 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 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