SCHEMBL23334056

SCHEMBL23334056

CCn1c(SCCC(=O)Nc2nnc(-c3ccc(F)cc3)s2)nnc1-c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.63
▸ HTT P42858 1/20 0.63
▸ ALDH1A1 P00352 6/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MAPK1 P28482 2/20 0.51
▸ TSHR P16473 3/20 0.51
▸ USP2 O75604 3/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CDC25A P30304 1/20 0.48
▸ CDC25B P30305 1/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HPGD P15428 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
SCHEMBL19549066 0.92 LMNA (0.75) LMNAHTTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19566993 0.84 LMNA (0.77) LMNAHTTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17725778 0.82 LMNA (0.73) LMNAHTTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19549101 0.82 LMNA (0.73) LMNAHTTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19549109 0.81 TSHR (0.62) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL19549075 0.81 ALDH1A1 (0.66) LMNAHTTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19566983 0.79 TSHR (0.61) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL19549103 0.79 TSHR (0.61) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL19549110 0.79 LMNA (0.62) LMNAHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL19566995 0.79 LMNA (0.62) LMNAHTTALDH1A1SMN1; SMN2MAPT

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
EP-3212644-B1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF DIABETES APOGLYX AB (SE) 2021-05-05 — — EP disclosed
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