SCHEMBL3455946

SCHEMBL3455946

Cc1cc2nc(-c3[nH]nc4c3CCN(C(=O)CC(C)C)C4)[nH]c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 3/20 0.38
HSD17B10 Q99714 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
HPSE Q9Y251 1/20 0.38
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 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
SCHEMBL3455817 0.87 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3457585 0.87 HPSE (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3457565 0.86 KDM4E (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14031952 0.86 HPSE (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3456150 0.86 NPC1 (0.37) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3455320 0.86 TRPV1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3456885 0.84 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3455651 0.83 HPSE (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3455326 0.83 ALDH1A1 (0.35) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14032049 0.83 GPBAR1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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