SCHEMBL9743714

SCHEMBL9743714

C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OC(C)C(=O)OC(C)(C)C)c3nsc(N)n3)[C@H]2SC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ APAF1 O14727 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ PLCG1 P19174 1/20 0.53
▸ ABCC2 Q92887 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PSMD14 O00487 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ HPGD P15428 2/20 0.48
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ DUSP3 P51452 1/20 0.44

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
SCHEMBL9743721 1.00 TDP1 (0.54) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481434 0.92 TDP1 (0.57) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481432 0.92 TDP1 (0.57) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9482336 0.89 TDP1 (0.45) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9482344 0.89 TDP1 (0.45) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10647489 0.88 KCNH2 (0.47) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10647485 0.88 KCNH2 (0.47) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481975 0.87 TDP1 (0.72) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481959 0.87 TDP1 (0.72) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9481752 0.87 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1

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-5110921-A Bactericides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 — — US disclosed
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