SCHEMBL11288819

SCHEMBL11288819

O=C(S)C(O)(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 12/20 0.48
▸ SLC13A5 Q86YT5 1/20 0.44
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11288820 0.78 CASR (0.46) CASRSLC13A5NPC1RAB9ASMN1; SMN2
SCHEMBL1431987 0.73 CYP2C9 (0.50) SMN1; SMN2MEN1KMT2AHTTGAA
SCHEMBL15157817 0.72 CASR (0.50) CASRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10573419 0.72 CASR (0.54) CASRNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL28712666 0.72 CASR (0.49) CASRSLC13A5NPC1RAB9ASMN1; SMN2
SCHEMBL29449583 0.72 CASR (0.52) CASRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28710154 0.72 CASR (0.52) CASRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16095839 0.71 CASR (0.52) CASRNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL28618566 0.71 CASR (0.52) CASRNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL29516977 0.71 CASR (0.52) CASRNPC1RAB9ASMN1; SMN2NFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055248-A1 Acetic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-06-30 — — EP disclosed
EP-0055248-A1 Acetic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-06-30 — — EP disclosed
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