SCHEMBL10895435

SCHEMBL10895435

COC(=O)CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(/C=C/Cl)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.58
▸ APEX1 P27695 3/20 0.58
▸ APAF1 O14727 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ PLCG1 P19174 1/20 0.58
▸ ABCC2 Q92887 1/20 0.58
▸ SIRT5 Q9NXA8 1/20 0.58
▸ PSMD14 O00487 1/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ NR1I2 O75469 4/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ MAPT P10636 5/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ FAP Q12884 1/20 0.52
▸ PTGS1 P23219 2/20 0.52

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
SCHEMBL10895432 1.00 TDP1 (0.58) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10888577 0.94 TDP1 (0.56) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10888574 0.94 TDP1 (0.56) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10889846 0.93 NR1I2 (0.59) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10889844 0.93 NR1I2 (0.59) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481314 0.92 TDP1 (0.69) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481309 0.92 TDP1 (0.69) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10893625 0.90 TDP1 (0.62) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10893628 0.90 TDP1 (0.62) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10893639 0.90 TDP1 (0.62) 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 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
Send feedback