SCHEMBL9787284

SCHEMBL9787284

CC(C)Cc1[nH]c(=S)[nH]c1C(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 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
SCHEMBL7436437 0.85 HPGD (0.44) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9787259 0.79 HPGDS (0.45) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10876269 0.68 HPGDS (0.42) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7434232 0.68 HPGD (0.43) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL182010 0.66 CES2 (0.71) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10884329 0.66 HPGD (0.40) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10877089 0.65 MEN1 (0.56) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9787285 0.65 HPGDS (0.46) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3183222 0.65 ALDH1A1 (0.79) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
Leucine SCHEMBL29159313 0.62 SLC7A5 (0.53) HPGDALDH1A1RAB9ANPC1SMN1; SMN2

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
US-4999365-A Preventing damage which occurs to heart tissue when oxygen is reintroduced after a heart attack MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-12 — — US disclosed
EP-0284925-A2 Use of imidazol-2-thiones for the preparation of a medicament for reducing myocardial stunning MERRELL DOW PHARMACEUTICALS INC. (US) 1988-10-05 — — EP disclosed
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