SCHEMBL3457585

SCHEMBL3457585

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.39
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
FASN P49327 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 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
SCHEMBL14031952 0.89 HPSE (0.41) HPSEHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3455946 0.87 NPC1 (0.38) HPSEHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3455651 0.86 HPSE (0.39) HPSEHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3456645 0.85 EP300 (0.39) HPSEHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3455817 0.84 NPC1 (0.38) HPSEHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3457136 0.83 MTHFD2 (0.41) HPSENPC1RAB9AATMERAP1
SCHEMBL3457565 0.83 KDM4E (0.38) HPSEHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3455320 0.82 TRPV1 (0.38) HPSEHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3456150 0.82 NPC1 (0.37) HPSEHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3455647 0.82 SMN1; SMN2 (0.43) HPSESMN1; SMN2FASNAMY1ACYP1A2

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