SCHEMBL8425761

SCHEMBL8425761

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.41
▸ APEX1 P27695 3/20 0.41
▸ APAF1 O14727 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ ABCC2 Q92887 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ ABCC4 O15439 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL8560070 0.93 TDP1 (0.43) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL8428692 0.93 TDP1 (0.43) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11078983 0.93 MAPT (0.47) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9661346 0.93 MAPT (0.47) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9668395 0.93 MAPT (0.47) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9661349 0.93 MAPT (0.47) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9667985 0.92 TDP1 (0.42) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9667991 0.92 TDP1 (0.42) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL8428690 0.91 TDP1 (0.43) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9602436 0.90 PTGS1 (0.44) TDP1APEX1APAF1LMNAL3MBTL1

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-5969131-A OR PRECURSORS; CHEMICAL INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-19 — — US disclosed
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