SCHEMBL9840470

SCHEMBL9840470

Cc1nnsc1/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ FAP Q12884 1/20 0.45
▸ TDP1 Q9NUW8 4/20 0.38
▸ APAF1 O14727 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ PLCG1 P19174 1/20 0.38
▸ ABCC2 Q92887 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ NR1I2 O75469 6/20 0.38
▸ PGR P06401 3/20 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
SCHEMBL9840475 1.00 MAPT (0.45) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9839969 0.92 MAPT (0.41) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9839962 0.92 MAPT (0.41) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9838769 0.92 TDP1 (0.46) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9838757 0.92 TDP1 (0.46) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL10490083 0.90 TDP1 (0.42) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL10490080 0.90 TDP1 (0.42) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9840190 0.89 MAPT (0.40) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9840192 0.89 MAPT (0.40) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL5823403 0.88 TDP1 (0.50) MAPTUSP2ALDH1A1CYP3A4HPGD

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-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 — — US disclosed
EP-0335390-A2 Novel cephalosporin compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-10-04 — — EP disclosed
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