SCHEMBL11299725

SCHEMBL11299725

O=C(O)c1ccc(CSc2nncs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
LMNA P02545 2/20 0.64
FFAR1 O14842 1/20 0.57
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 7/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
TTR P02766 1/20 0.46
GSK3B P49841 1/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2211934 0.80 SMN1; SMN2 (0.56) HPGDLMNAFFAR1KMT2AALDH1A1
SCHEMBL11181823 0.76 LMNA (0.74) HPGDLMNAFFAR1POLBKMT2A
SCHEMBL9479429 0.76 LMNA (0.74) HPGDLMNAFFAR1POLBKMT2A
SCHEMBL14426475 0.76 LMNA (0.74) HPGDLMNAFFAR1KMT2AALDH1A1
SCHEMBL11188489 0.75 HPGD (0.60) HPGDLMNAFFAR1POLBKMT2A
SCHEMBL11157512 0.73 ALDH1A1 (0.52) HPGDPOLBKMT2AALDH1A1L3MBTL1
SCHEMBL11143093 0.71 ALDH1A1 (0.51) HPGDLMNAPOLBKMT2AALDH1A1
SCHEMBL9748851 0.71 HPGD (0.55) HPGDLMNAFFAR1POLBKMT2A
SCHEMBL10687158 0.70 NPC1 (0.79) HPGDLMNAPOLBKMT2AALDH1A1
SCHEMBL10965462 0.69 CA12 (0.70) HPGDLMNAPOLBKMT2AALDH1A1

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
US-4325959-A Hypoglycemic 4-(((1,3,4, thiadiazolyl)thio)methyl)benzoic acids, ester and amides THE DOW CHEMICAL COMPANY (US) 1982-04-20 US disclosed