SCHEMBL3455894

SCHEMBL3455894

COc1ccc(S(=O)(=O)Nc2ccc(N3CCc4c(n[nH]c4-c4nc5cc(C)c(C)cc5[nH]4)C3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CHEK2 O96017 1/20 0.41
LMNA P02545 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
PKM P14618 1/20 0.38
TP53 P04637 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ESR1 P03372 1/20 0.37
THRB P10828 1/20 0.37
NMT1 P30419 1/20 0.37
ITK Q08881 1/20 0.37

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
SCHEMBL3456017 0.86 ALPL (0.42) GAAKDM4ELMNAKMT2AMEN1
SCHEMBL14031961 0.84 KDM4E (0.38) GAAKDM4EMAPTLMNAKMT2A
SCHEMBL3455923 0.84 KMT2A (0.40) KDM4EMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3455927 0.79 PKM (0.43) GAAKDM4EMAPTSMN1; SMN2LMNA
SCHEMBL3456385 0.78 GRIN2D (0.39) GAAKDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL3455883 0.78 GUSB (0.42) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3455987 0.73 MAPT (0.46) GAAKDM4EMAPTSMN1; SMN2LMNA
SCHEMBL3458954 0.70 CD4 (0.43) KDM4EMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL3455109 0.69 NPC1 (0.40) KDM4EMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3458009 0.69 NPC1 (0.39) GAAKDM4EMAPTSMN1; SMN2CHEK2

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