SCHEMBL3456645

SCHEMBL3456645

Cc1cc2nc(-c3[nH]nc4c3CCN(C(=O)C3CC3)C4)[nH]c2cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39
HPSE Q9Y251 1/20 0.39
MAPT P10636 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRD4 O60885 3/20 0.36
FASN P49327 1/20 0.35
ATM Q13315 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 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
SCHEMBL14031952 0.88 HPSE (0.41) EP300CREBBPHPSEMAPTNPC1
SCHEMBL3457585 0.85 HPSE (0.39) HPSEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3455651 0.85 HPSE (0.39) HPSEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3455817 0.83 NPC1 (0.38) HPSEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3455946 0.82 NPC1 (0.38) HPSEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3457136 0.82 MTHFD2 (0.41) HPSENPC1RAB9AATMERAP1
SCHEMBL3457565 0.82 KDM4E (0.38) HPSEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3455320 0.82 TRPV1 (0.38) HPSEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3456150 0.82 NPC1 (0.37) HPSEMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3456012 0.81 P2RX7 (0.44) ALDH1A1HPGDLMNAHTT

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