SCHEMBL9547388

SCHEMBL9547388

Cn1nnnc1SCC(N)=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
POLB P06746 2/20 0.54
GAA P10253 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL10403688 0.84 ALDH1A1 (0.60) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL5529970 0.84 ALDH1A1 (0.60) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL5533990 0.84 ALDH1A1 (0.60) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL11166347 0.82 ALDH1A1 (0.58) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL11518064 0.82 ALDH1A1 (0.58) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL10672027 0.81 GAA (0.59) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL10457059 0.81 ALDH1A1 (0.56) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL6086755 0.79 ALDH1A1 (0.58) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL9805552 0.79 ALDH1A1 (0.55) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL14605923 0.79 ALDH1A1 (0.55) ALDH1A1POLBGAAALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP claimed
US-8518978-B2 Pharmaceutical composition for prevention and treatment of restenosis comprising isoxazole derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-27 US disclosed
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP disclosed
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed
US-4220644-A BACTERICIDES SMITHKLINE CORPORATION (US) 1980-09-02 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed