SCHEMBL10830929

SCHEMBL10830929

COC1=C(C(=O)O)N2C(=O)C(NC(=O)C=NOCc3csc(NC(=O)C(F)(F)F)n3)[C@@H]2SC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.40
▸ NR1I2 O75469 3/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ SLC22A6 Q4U2R8 2/20 0.38
▸ SLC22A8 Q8TCC7 2/20 0.38
▸ SLC22A11 Q9NSA0 2/20 0.38
▸ ALB P02768 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ TDP1 Q9NUW8 6/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ APAF1 O14727 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PLCG1 P19174 1/20 0.37
▸ ABCC2 Q92887 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ PSMD14 O00487 1/20 0.36
▸ MMP2 P08253 1/20 0.36

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
SCHEMBL10830927 1.00 PTGS1 (0.40) PTGS1NR1I2HTR2CMAPTSLC22A6
SCHEMBL10418546 0.78 NR1I2 (0.58) PTGS1NR1I2HTR2CMAPTSLC22A6
SCHEMBL10418547 0.78 NR1I2 (0.58) PTGS1NR1I2HTR2CMAPTSLC22A6
SCHEMBL4809163 0.77 NR1I2 (0.50) PTGS1NR1I2HTR2CMAPTSLC22A6
SCHEMBL11212601 0.77 NR1I2 (0.50) PTGS1NR1I2HTR2CMAPTSLC22A6
SCHEMBL4809193 0.77 NR1I2 (0.50) PTGS1NR1I2HTR2CMAPTSLC22A6
SCHEMBL10780724 0.76 TDP1 (0.43) PTGS1NR1I2HTR2CMAPTSLC22A6
SCHEMBL8371361 0.76 TDP1 (0.44) PTGS1NR1I2HTR2CMAPTSLC22A6
SCHEMBL11364574 0.74 TDP1 (0.61) PTGS1NR1I2MAPTSLC22A6SLC22A8
SCHEMBL11364577 0.74 TDP1 (0.61) PTGS1NR1I2MAPTSLC22A6SLC22A8

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-4563522-A BACTERICIDAL ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 — — US disclosed
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