SCHEMBL10521340

SCHEMBL10521340

Nc1nc(-c2csc(CN3CCCCC3)c2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.44
▸ EHMT2 Q96KQ7 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ MAPT P10636 8/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ AR P10275 1/20 0.38
▸ GFER P55789 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
SCHEMBL10520041 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTNPC1MEN1
SCHEMBL10520856 0.75 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL10518279 0.74 EHMT2 (0.44) SMN1; SMN2EHMT2ALDH1A1MAPTNPC1
SCHEMBL3632268 0.73 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL1033875 0.72 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
Fumaric Acid SCHEMBL10519990 0.71 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTNPC1MEN1
Fumaric Acid SCHEMBL10519985 0.71 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTNPC1MEN1
SCHEMBL10519940 0.71 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL6057588 0.70 HRH3 (0.62) SMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL21282183 0.70 MEN1 (0.42) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 — — EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 — — US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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