SCHEMBL3460034

SCHEMBL3460034

CCCCN1CCc2c(n[nH]c2-c2nc3cc(C)c(C)cc3[nH]2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
METAP1 P53582 2/20 0.33
HPGD P15428 2/20 0.33
SYK P43405 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
METAP2 P50579 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
SCHEMBL3455936 0.94 ALDH1A1 (0.38) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3455100 0.89 BRD4 (0.38) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3461019 0.87 GRIA1 (0.39) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3456014 0.86 GRIN2B (0.41) HTR1AMEN1KMT2AGRIN2B
SCHEMBL3462996 0.85 ALDH1A1 (0.36) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3455326 0.84 ALDH1A1 (0.35) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3457560 0.84 DRD2 (0.41) ALDH1A1HTR1ANPC1RAB9ASMN1; SMN2
SCHEMBL3456715 0.83 ATM (0.38) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3455559 0.83 TSHR (0.35) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3455866 0.82 DRD2 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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