SCHEMBL10889022

SCHEMBL10889022

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.65
▸ MAPT P10636 4/20 0.65
▸ ABCC4 O15439 1/20 0.65
▸ CNR1 P21554 1/20 0.65
▸ CTDSP1 Q9GZU7 1/20 0.65
▸ APAF1 O14727 2/20 0.60
▸ APEX1 P27695 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ PLCG1 P19174 1/20 0.60
▸ ABCC2 Q92887 1/20 0.60
▸ SIRT5 Q9NXA8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ PSMD14 O00487 1/20 0.59
▸ MMP2 P08253 1/20 0.59
▸ HPGD P15428 2/20 0.53
▸ NR1I2 O75469 5/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ PPARG P37231 2/20 0.51
▸ SLC22A6 Q4U2R8 2/20 0.51

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
SCHEMBL10891063 0.90 TDP1 (0.81) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10891051 0.90 TDP1 (0.81) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL1821101 0.89 TDP1 (0.81) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9483159 0.89 TDP1 (0.81) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10890247 0.87 TDP1 (0.50) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10896057 0.87 NR1I2 (0.73) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10892691 0.87 NR1I2 (0.73) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10892719 0.87 NR1I2 (0.73) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11568371 0.86 TDP1 (0.60) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11468182 0.86 TDP1 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154354-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-11 — — EP claimed
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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