SCHEMBL14065071

SCHEMBL14065071

COc1cc(NC(=O)Nc2cccc(CNC(=O)O)c2)ccc1C1CN=CO1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.45
▸ IMPDH1 P20839 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HIF1A Q16665 3/20 0.41
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RET P07949 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL14064857 0.85 IMPDH2 (0.54) IMPDH2IMPDH1SMN1; SMN2RAB9AKMT2A
SCHEMBL14065171 0.84 IMPDH2 (0.49) IMPDH2IMPDH1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8277282 0.84 IMPDH2 (0.66) IMPDH2IMPDH1L3MBTL1SMN1; SMN2LMNA
SCHEMBL14065211 0.75 IMPDH2 (0.37) IMPDH2IMPDH1SMN1; SMN2HIF1ARAB9A
SCHEMBL2689376 0.73 IMPDH2 (0.74) IMPDH2IMPDH1ROCK2
SCHEMBL14065207 0.72 IMPDH2 (0.46) IMPDH2IMPDH1L3MBTL1SMN1; SMN2LMNA
SCHEMBL172475 0.71 IMPDH2 (0.55) IMPDH2IMPDH1LMNARAB9AKMT2A
SCHEMBL6496013 0.67 IMPDH2 (0.74) IMPDH2IMPDH1
SCHEMBL2931524 0.66 HSD17B10 (0.57) RAB9AKMT2AMEN1MAPTROCK2
SCHEMBL12344525 0.65 IMPDH2 (0.56) IMPDH2IMPDH1

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-1964561-A1 Inhibitors of IMPDH enzyme Vertex Pharmaceuticals Incorporated (US) 2008-09-03 — — EP disclosed
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