SCHEMBL9840190

SCHEMBL9840190

O=C(OC(c1ccccc1)c1ccccc1)C1=C(/C=C\c2cnns2)CS[C@@H]2C(NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ TDP1 Q9NUW8 5/20 0.39
▸ APAF1 O14727 2/20 0.39
▸ APEX1 P27695 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PLCG1 P19174 1/20 0.39
▸ ABCC2 Q92887 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ ABCC4 O15439 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 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
SCHEMBL9840192 1.00 MAPT (0.40) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL10490083 0.91 TDP1 (0.42) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL10490080 0.91 TDP1 (0.42) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9840170 0.90 TDP1 (0.41) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9840470 0.89 MAPT (0.45) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9839962 0.89 MAPT (0.41) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9840475 0.89 MAPT (0.45) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9839969 0.89 MAPT (0.41) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL5823403 0.89 TDP1 (0.50) MAPTUSP2ALDH1A1CYP3A4HPGD
SCHEMBL9667985 0.89 TDP1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 — — US disclosed
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