SCHEMBL10848693

SCHEMBL10848693

Cn1nnnc1SCC1(C(=O)O)CS[C@@H]2C(NC(=O)C(=NOc3ccccc3)c3nsc(N)n3)C(=O)N2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.42
▸ PGR P06401 3/20 0.42
▸ KCNH2 Q12809 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ PPARG P37231 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ SLC22A11 Q9NSA0 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 6/20 0.35
▸ POLB P06746 5/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ TDP1 Q9NUW8 6/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ APEX1 P27695 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ ELANE P08246 1/20 0.31

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
SCHEMBL10853831 0.94 NR1I2 (0.41) NR1I2PGRKCNH2ALDH1A1HSD17B10
SCHEMBL10851072 0.94 NR1I2 (0.41) NR1I2PGRKCNH2ALDH1A1HSD17B10
SCHEMBL10853731 0.93 NR1I2 (0.36) NR1I2PGRKCNH2HSD17B10TDP1
SCHEMBL10848808 0.92 KMT2A (0.36) NR1I2PGRKCNH2HSD17B10MAPT
SCHEMBL10859765 0.92 NR1I2 (0.39) NR1I2PGRKCNH2ALDH1A1HSD17B10
SCHEMBL11357586 0.91 NR1I2 (0.49) NR1I2PGRKCNH2ALDH1A1HSD17B10
SCHEMBL10850515 0.91 NR1I2 (0.41) NR1I2PGRKCNH2ALDH1A1HSD17B10
SCHEMBL10851717 0.90 KCNH2 (0.34) NR1I2PGRKCNH2HSD17B10TDP1
SCHEMBL10840189 0.90 NR1I2 (0.42) NR1I2PGRKCNH2ALDH1A1HSD17B10
SCHEMBL10857983 0.89 NR1I2 (0.42) NR1I2PGRKCNH2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4567275-A 2-(5-AMINO-1,2,4-THIADIAZOL-3-YL)GLYOXYLIC ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 — — US disclosed
US-4468515-A CEPRALOSPORINS, MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 — — US disclosed
US-4425340-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
US-4390534-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-06-28 — — US disclosed
US-4332798-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-06-01 — — US disclosed
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