SCHEMBL5815122

SCHEMBL5815122

O=[C]CSc1nnnn1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.65
▸ POLB P06746 4/20 0.64
▸ MAPT P10636 3/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ LMNA P02545 4/20 0.63
▸ TSHR P16473 3/20 0.63
▸ HPGD P15428 3/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ PKM P14618 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL11126118 0.84 ALDH1A1 (0.65) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL16363815 0.84 POLB (0.71) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL10448232 0.79 ALDH1A1 (1.00) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL16472210 0.79 ALDH1A1 (0.71) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9137875 0.79 ALDH1A1 (0.71) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL10970208 0.79 ALDH1A1 (0.71) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL10973042 0.79 ALDH1A1 (0.71) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL18026651 0.78 ALDH1A1 (0.69) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL8177830 0.78 ALDH1A1 (0.77) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1610031 0.78 POLB (1.00) ALDH1A1POLBMAPTMEN1KMT2A

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
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