SCHEMBL1969659

SCHEMBL1969659

Cc1nc(NC(=O)c2ccc(N)c(N)c2)sc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 15/20 0.64
▸ NPC1 O15118 14/20 0.64
▸ SMN1; SMN2 Q16637 7/20 0.64
▸ MAPT P10636 4/20 0.64
▸ PKM P14618 2/20 0.63
▸ KMT2A Q03164 8/20 0.56
▸ MEN1 O00255 7/20 0.56
▸ RXFP1 Q9HBX9 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ CSNK2A2 P19784 1/20 0.49
▸ CSNK2B P67870 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.49
▸ CSNK2A3 Q8NEV1 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PLTP P55058 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NFKB1 P19838 1/20 0.47

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
SCHEMBL4286261 0.84 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL1966157 0.84 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL2754020 0.81 NPC1 (0.77) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL25143337 0.80 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL8559786 0.79 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL31665475 0.78 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL2949867 0.78 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL25143078 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL25142926 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL7349284 0.77 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 — — EP disclosed
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