SCHEMBL3455272

SCHEMBL3455272

Cc1cc2nc(-c3[nH]nc4c3CCN(S(=O)(=O)c3cccc(Cl)c3Cl)C4)[nH]c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
TSHR P16473 1/20 0.39
AMY1A P0DUB6 2/20 0.38
TRPV1 Q8NER1 3/20 0.38
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
SMPD1 P17405 1/20 0.35
GUSB P08236 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 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
SCHEMBL3459484 0.93 NPC1 (0.39) HTR6AMY1ATRPV1KMT2ANPC1
SCHEMBL14031947 0.88 NPC1 (0.40) AMY1AKMT2ANPC1RAB9AATM
SCHEMBL3461819 0.85 MAPT (0.43) TSHRAMY1AKMT2ANPC1RAB9A
SCHEMBL3457087 0.85 MAPT (0.43) TSHRAMY1AKMT2ANPC1RAB9A
SCHEMBL3458009 0.83 NPC1 (0.39) TSHRKMT2ANPC1RAB9AATM
SCHEMBL3457131 0.83 GRM5 (0.38) TSHRKMT2ANPC1RAB9AATM
SCHEMBL3458954 0.83 CD4 (0.43) NPC1RAB9AATMERAP1MAPT
SCHEMBL3455109 0.82 NPC1 (0.40) AMY1AKMT2ANPC1RAB9AATM
SCHEMBL3461277 0.81 BRD4 (0.41) TSHRAMY1AKMT2ANPC1RAB9A
SCHEMBL3463347 0.81 MCOLN3 (0.44) TSHRAMY1AKMT2ANPC1RAB9A

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