SCHEMBL10893639

SCHEMBL10893639

Nc1nc(/C(=N/O)C(=O)NC2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(/C=C/Cl)CS[C@H]23)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.62
▸ MAPT P10636 5/20 0.62
▸ ABCC4 O15439 2/20 0.62
▸ CNR1 P21554 1/20 0.62
▸ CTDSP1 Q9GZU7 1/20 0.62
▸ APEX1 P27695 3/20 0.53
▸ APAF1 O14727 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PLCG1 P19174 1/20 0.53
▸ ABCC2 Q92887 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53
▸ PSMD14 O00487 1/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ NR1I2 O75469 4/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL10893628 1.00 TDP1 (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10893625 1.00 TDP1 (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10889846 0.93 NR1I2 (0.59) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10889844 0.93 NR1I2 (0.59) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5161757 0.92 TDP1 (0.75) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5161753 0.92 TDP1 (0.75) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL5484474 0.92 TDP1 (0.75) TDP1MAPTABCC4CNR1CTDSP1
Bromide SCHEMBL10529250 0.91 TDP1 (0.74) TDP1MAPTABCC4CNR1CTDSP1
Bromide SCHEMBL5161813 0.91 TDP1 (0.74) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10895435 0.90 TDP1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4631274-A MICROBIOCIDES FUJISAWA PHARMCEUTICAL CO., LTD. (JP) 1986-12-23 — — US disclosed
EP-0154354-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-11 — — EP disclosed
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