SCHEMBL9876590

SCHEMBL9876590

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OCOCC[Si](C)(C)C)=C(CSc3cnns3)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.58
▸ PGR P06401 2/20 0.58
▸ PTGS1 P23219 2/20 0.58
▸ TDP1 Q9NUW8 6/20 0.57
▸ MAPT P10636 5/20 0.57
▸ APEX1 P27695 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ POLB P06746 2/20 0.57
▸ RECQL P46063 2/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ HTR2C P28335 1/20 0.57
▸ PPARG P37231 2/20 0.57
▸ SLC22A6 Q4U2R8 2/20 0.57
▸ SLC22A8 Q8TCC7 2/20 0.57
▸ SLC22A11 Q9NSA0 2/20 0.57
▸ DAO P14920 1/20 0.57
▸ SNCA P37840 1/20 0.57

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
SCHEMBL9876986 1.00 NR1I2 (0.58) NR1I2PGRPTGS1TDP1MAPT
SCHEMBL10415750 0.93 NR1I2 (0.63) NR1I2PGRPTGS1TDP1MAPT
SCHEMBL10415801 0.92 NR1I2 (0.56) NR1I2PGRPTGS1TDP1MAPT
SCHEMBL10414376 0.92 MAPT (0.65) NR1I2PGRPTGS1TDP1MAPT
SCHEMBL10415820 0.90 NR1I2 (0.59) NR1I2PGRPTGS1TDP1MAPT
SCHEMBL10415785 0.90 MAPT (0.65) NR1I2PGRPTGS1TDP1MAPT
SCHEMBL10416364 0.90 PTGS1 (0.73) NR1I2PGRPTGS1TDP1MAPT
SCHEMBL10415870 0.89 NR1I2 (0.60) NR1I2PGRPTGS1TDP1MAPT
Cefuzonam SCHEMBL149484 0.88 NR1I2 (0.73) NR1I2PGRTDP1MAPTAPEX1
Cefuzonam SCHEMBL9573537 0.88 NR1I2 (0.73) NR1I2PGRTDP1MAPTAPEX1

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-5066799-A Intermediates for the preparation of aminothiazoloximino cephalosporins AMERICAN CYANAMID COMPANY (US) 1991-11-19 — — US claimed
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