SCHEMBL3455100

SCHEMBL3455100

CCN1CCc2c(n[nH]c2-c2nc3cc(C)c(C)cc3[nH]2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ATM Q13315 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ERAP1 Q9NZ08 1/20 0.36
METAP1 P53582 2/20 0.36
METAP2 P50579 1/20 0.36
CBFB Q13951 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
AMY1A P0DUB6 4/20 0.35
ADORA3 P0DMS8 1/20 0.34
FABP6 P51161 1/20 0.34

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
SCHEMBL3455936 0.91 ALDH1A1 (0.38) ATMALDH1A1MAPTKMT2ATSHR
SCHEMBL3460034 0.89 ALDH1A1 (0.37) ATMALDH1A1MAPTKMT2ATSHR
SCHEMBL3462996 0.89 ALDH1A1 (0.36) ATMALDH1A1MAPTKMT2ATSHR
SCHEMBL3455326 0.88 ALDH1A1 (0.35) ATMALDH1A1MAPTKMT2ATSHR
SCHEMBL3455559 0.87 TSHR (0.35) BRD4ATMALDH1A1MAPTKMT2A
SCHEMBL3461019 0.86 GRIA1 (0.39) ATMALDH1A1MAPTKMT2ATSHR
SCHEMBL3455866 0.85 DRD2 (0.44) ALDH1A1KMT2AMEN1TDP1NPC1
SCHEMBL3456715 0.85 ATM (0.38) BRD4ATMALDH1A1MAPTKMT2A
SCHEMBL3455882 0.84 DRD2 (0.47) ALDH1A1AMY1A
SCHEMBL13070128 0.84 DRD2 (0.38) ALDH1A1MAPTKMT2AMEN1NPC1

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