SCHEMBL11390180

SCHEMBL11390180

CCN(CC)C(=O)NSc1coc2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 15/20 0.46
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ADORA2B P29275 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11393220 0.86 MAOB (0.46) MAOBKMT2AADORA2BMAOAPTGES
SCHEMBL11405457 0.75 PTGS2 (0.50) MAOBSMN1; SMN2ADORA2BMAOAPTGS2
SCHEMBL11390174 0.72 NPC1 (0.51) MAOBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11639718 0.70 MAOB (0.51) MAOBALDH1A1SMN1; SMN2HSD17B10ADORA2B
SCHEMBL9618120 0.69 MAOB (0.60) MAOBALDH1A1SMN1; SMN2HSD17B10ADORA2B
SCHEMBL11390185 0.69 ABCC1 (0.44) MAOBTSHRRAB9AHSD17B10ADORA2B
SCHEMBL23320363 0.68 MAOB (0.51) MAOBKMT2ANPC1ALDH1A1TP53
SCHEMBL11394273 0.67 MAOB (0.51) MAOBALDH1A1SMN1; SMN2HSD17B10ADORA2B
SCHEMBL8786734 0.67 MAOB (0.51) MAOBALDH1A1SMN1; SMN2HSD17B10ADORA2B
SCHEMBL5163275 0.67 MAOB (0.50) MAOBKMT2ANPC1TP53RAB9A

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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