SCHEMBL9623625

SCHEMBL9623625

C=CSCC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)/C(=N/OCC(=O)OCc3ccc([N+](=O)[O-])cc3)c3csc(NC(=O)C(F)(F)F)n3)[C@H]2SC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.42
▸ APEX1 P27695 4/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ PLCG1 P19174 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ABCC2 Q92887 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ PSMD14 O00487 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9623627 1.00 TDP1 (0.42) TDP1APEX1APAF1PLCG1LMNA
SCHEMBL9623972 0.96 TDP1 (0.46) TDP1APEX1APAF1PLCG1LMNA
SCHEMBL9623971 0.96 TDP1 (0.46) TDP1APEX1APAF1PLCG1LMNA
SCHEMBL9623995 0.93 TDP1 (0.47) TDP1APEX1PLCG1LMNAL3MBTL1
SCHEMBL9623998 0.93 TDP1 (0.47) TDP1APEX1PLCG1LMNAL3MBTL1
SCHEMBL9876881 0.91 TDP1 (0.43) TDP1APEX1APAF1PLCG1LMNA
SCHEMBL9876883 0.91 TDP1 (0.43) TDP1APEX1APAF1PLCG1LMNA
SCHEMBL9623944 0.85 TDP1 (0.50) TDP1APEX1PLCG1LMNAL3MBTL1
SCHEMBL9623946 0.85 TDP1 (0.50) TDP1APEX1PLCG1LMNAL3MBTL1
SCHEMBL9877502 0.84 PTGS1 (0.45) TDP1APEX1PLCG1LMNAL3MBTL1

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-0145906-B1 CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-11 — — EP disclosed
US-4622318-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-11 — — US disclosed
EP-0145906-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-26 — — EP disclosed
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