SCHEMBL3456798

SCHEMBL3456798

Cc1cc2nc(-c3[nH]nc4c3CCN(C(=O)c3ccco3)C4)[nH]c2cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
POLB P06746 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
MCL1 Q07820 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 4/20 0.41
MDM2 Q00987 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3457136 0.85 MTHFD2 (0.41) NPC1RAB9AGRM5
SCHEMBL3456885 0.83 NPC1 (0.40) ALDH1A1POLBNPC1RAB9AGAA
SCHEMBL14031952 0.83 HPSE (0.41) ALDH1A1POLBNPC1RAB9AKDM4E
SCHEMBL3456362 0.82 L3MBTL1 (0.44) ALDH1A1NPC1RAB9AGAAKDM4E
SCHEMBL3456012 0.82 P2RX7 (0.44) ALDH1A1LMNAHPGD
SCHEMBL14032078 0.82 KMT2A (0.40) ALDH1A1POLBNPC1RAB9AGAA
SCHEMBL14031930 0.82 MAPT (0.41) ALDH1A1POLBNPC1RAB9AGAA
SCHEMBL14031921 0.82 SMN1; SMN2 (0.39) ALDH1A1POLBNPC1RAB9AGAA
SCHEMBL3455647 0.82 SMN1; SMN2 (0.43) LMNASMN1; SMN2CYP1A2
SCHEMBL14032040 0.81 ALDH1A1 (0.42) ALDH1A1POLBNPC1RAB9AGAA

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 4 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
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