SCHEMBL31126444

SCHEMBL31126444

O=[N+]([O-])c1ccc(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.68
▸ MAPT P10636 8/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ POLB P06746 1/20 0.61
▸ RAB9A P51151 4/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ CSNK2A1 P68400 2/20 0.55
▸ VCP P55072 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ GAA P10253 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL7115032 1.00 ALOX5 (0.68) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL13613546 0.89 ALOX5 (0.69) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL20379531 0.86 MAPT (0.66) ALOX5MAPTPOLBRAB9ANPC1
SCHEMBL23539933 0.86 CSNK2A1 (0.76) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL7268473 0.86 MAPT (0.72) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL1890250 0.86 MAPT (0.64) MAPTNPSR1POLBRAB9ANPC1
SCHEMBL31126428 0.82 ALOX5 (0.78) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL1888054 0.82 ALOX5 (0.78) ALOX5MAPTNPSR1POLBRAB9A
SCHEMBL21479749 0.81 MAPT (0.58) MAPTNPSR1POLBRAB9ANPC1
SCHEMBL23610351 0.81 ALOX5 (0.76) ALOX5MAPTNPSR1POLBRAB9A

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-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 — — CN disclosed
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