SCHEMBL9840170

SCHEMBL9840170

O=C(OC(c1ccccc1)c1ccccc1)C1=C(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CS[C@H]2C(NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)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
▸ ABCC4 O15439 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ NR1I2 O75469 5/20 0.39
▸ PGR P06401 2/20 0.39
▸ PPARG P37231 2/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ALDH1A1 P00352 2/20 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
SCHEMBL10794298 0.93 NR1I2 (0.46) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL5823403 0.92 TDP1 (0.50) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10490080 0.91 TDP1 (0.42) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10490083 0.91 TDP1 (0.42) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9840190 0.90 MAPT (0.40) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9840192 0.90 MAPT (0.40) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9667985 0.89 TDP1 (0.42) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9667991 0.89 TDP1 (0.42) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9667500 0.89 TDP1 (0.42) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9667504 0.89 TDP1 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 — — US disclosed
EP-0335390-A2 Novel cephalosporin compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-10-04 — — EP disclosed
US-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 — — US disclosed
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