SCHEMBL11390174

SCHEMBL11390174

CCN(CC)C(=O)NSc1cc2ccccc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAOB P27338 8/20 0.46
▸ MAOA P21397 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ NT5E P21589 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL11393213 0.86 MAOA (0.48) NPC1SMN1; SMN2RAB9ALMNAMAOB
SCHEMBL11405452 0.75 HPGD (0.50) NPC1SMN1; SMN2RAB9ALMNAMAOB
SCHEMBL28997586 0.73 NPC1 (0.81) NPC1SMN1; SMN2RAB9ALMNAMAOB
SCHEMBL5672293 0.72 HPGD (0.50) NPC1SMN1; SMN2RAB9ALMNAMAOB
SCHEMBL11262049 0.70 MAOB (0.57) NPC1SMN1; SMN2RAB9ALMNAMAOB
SCHEMBL11639714 0.70 HPGD (0.55) NPC1SMN1; SMN2RAB9ALMNAMAOB
SCHEMBL28124979 0.70 HPGD (0.58) NPC1SMN1; SMN2RAB9ALMNAMAOB
SCHEMBL21445083 0.69 MAOB (0.58) NPC1SMN1; SMN2RAB9ALMNAMAOB
SCHEMBL9618117 0.69 HPGD (0.54) NPC1SMN1; SMN2RAB9ALMNAMAOB
SCHEMBL3724437 0.68 ALDH1A1 (0.62) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E

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
US-4259506-A SELECTIVELY DESTROYING WEEDS IN CROPS PHILAGRO (FR) 1981-03-31 — — US disclosed
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