SCHEMBL19633842

SCHEMBL19633842

CC(C)[C@H](NI)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HTT P42858 1/20 0.44
▸ TPSAB1 Q15661 2/20 0.40
▸ PLG P00747 2/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ PLAT P00750 1/20 0.36

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
SCHEMBL14870877 0.89 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL12698542 0.87 HTT (0.48) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL24774071 0.87 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL24252193 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL25490941 0.83 HTT (0.49) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL26272869 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL23054326 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL18499692 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL15382668 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTTPSAB1
SCHEMBL24279731 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTTTPSAB1

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
WO-2017201442-A1 ANTI-DLL3 DRUG CONJUGATES FOR TREATING TUMORS AT RISK OF NEUROENDOCRINE TRANSITION ABBVIE STEMCENTRX LLC (US) 2017-11-23 — — WO disclosed
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