SCHEMBL27771252

SCHEMBL27771252

O=C(Nc1nccs1)c1cc(OCc2cccc(Cl)c2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.65
▸ MAOB P27338 2/20 0.53
▸ MAOA P21397 1/20 0.53
▸ FADS1 O60427 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ GCK P35557 1/20 0.50
▸ MGAM O43451 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SI P14410 1/20 0.49
▸ MGAM2 Q2M2H8 1/20 0.49
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL27792464 0.85 KCNMA1 (0.55) KCNMA1MAOBMAOAALDH1A1KMT2A
SCHEMBL27792398 0.85 KMT2A (0.55) KCNMA1MAOBMAOAALDH1A1KMT2A
SCHEMBL27792361 0.82 KCNMA1 (0.66) KCNMA1MAOBMAOAFADS1ALDH1A1
SCHEMBL27771283 0.81 FADS1 (0.67) MAOBMAOAFADS1NPC1RAB9A
SCHEMBL14886072 0.80 KCNMA1 (1.00) KCNMA1ALDH1A1KMT2AMEN1GCK
SCHEMBL7347439 0.76 MAOB (0.67) MAOBMAOAFADS1RXRARXRB
SCHEMBL27771260 0.76 FADS1 (0.52) KCNMA1MAOBMAOAFADS1KMT2A
SCHEMBL7348486 0.76 MAOB (0.83) MAOBMAOARXRARXRBRXRG
SCHEMBL27771246 0.72 FADS1 (0.57) MAOBMAOAFADS1ALDH1A1KMT2A
SCHEMBL27771271 0.72 GCK (0.59) MAOBMAOAALDH1A1KMT2AMEN1

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
CN-101648919-A 3-substituted salicylamide compound, preparation method, medicinal composition and application thereof INST MATERIA MEDICA CAMS 2010-02-17 — — CN disclosed
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