SCHEMBL5758347

SCHEMBL5758347

CCOC(=O)c1csc(-n2cccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 6/20 0.56
MAPT P10636 6/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 4/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSP90AA1 P07900 2/20 0.46
OGA O60502 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5868906 0.83 RAB9A (0.51) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL3436232 0.81 RAB9A (0.55) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL6560539 0.81 RAB9A (0.51) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL5868882 0.81 GAA (0.53) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL25681462 0.79 RAB9A (0.56) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL28722331 0.79 RAB9A (0.49) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL7185606 0.78 ALDH1A1 (0.62) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL10464669 0.77 ALDH1A1 (0.64) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL10464496 0.76 OGA (0.53) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL10466693 0.76 OGA (0.56) RAB9ANPC1MAPTALDH1A1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed