SCHEMBL3455281

SCHEMBL3455281

Cc1cc2nc(-c3[nH]nc4c3CCN(S(=O)(=O)Cc3ccccc3)C4)[nH]c2cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ATM Q13315 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CBFB Q13951 1/20 0.36
GRM5 P41594 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BRD4 O60885 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3456093 0.92 GUSB (0.38) CNR2KMT2ANPC1RAB9AATM
SCHEMBL3461277 0.89 BRD4 (0.41) KMT2AMEN1NPC1RAB9AATM
SCHEMBL3458009 0.86 NPC1 (0.39) CNR2KMT2AMEN1NPC1RAB9A
SCHEMBL3456142 0.86 BRD4 (0.37) KMT2AMEN1NPC1RAB9AATM
SCHEMBL3455109 0.84 NPC1 (0.40) KMT2AMEN1NPC1RAB9AATM
SCHEMBL3455899 0.84 NPC1 (0.35) KMT2AMEN1NPC1RAB9AATM
SCHEMBL3456011 0.84 ALDH1A1 (0.37) KMT2AMEN1NPC1RAB9AATM
SCHEMBL14031947 0.83 NPC1 (0.40) KMT2ANPC1RAB9AATMERAP1
SCHEMBL3455866 0.83 DRD2 (0.44) KMT2AMEN1NPC1RAB9AMETAP2
SCHEMBL3458954 0.81 CD4 (0.43) NPC1RAB9AATMERAP1HPGD

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