SCHEMBL9623847

SCHEMBL9623847

O=C(Cc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(CCl)CS[C@@H]12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.80
▸ TDP1 Q9NUW8 6/20 0.59
▸ CTDSP1 Q9GZU7 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPK1 P28482 1/20 0.53
▸ MAPT P10636 4/20 0.51
▸ POLB P06746 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ PTPN5 P54829 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ HPGD P15428 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46
▸ SLC22A11 Q9NSA0 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL9623844 1.00 PLCG1 (0.80) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1
SCHEMBL11040054 0.93 PLCG1 (0.79) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1
SCHEMBL11040053 0.93 PLCG1 (0.79) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1
SCHEMBL11648862 0.92 PLCG1 (0.81) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1
SCHEMBL11648858 0.92 PLCG1 (0.81) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1
SCHEMBL11042193 0.91 PLCG1 (0.77) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1
SCHEMBL11042191 0.91 PLCG1 (0.77) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1
SCHEMBL11673368 0.91 PLCG1 (0.79) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1
SCHEMBL11673364 0.91 PLCG1 (0.79) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1
SCHEMBL8664795 0.91 PLCG1 (0.81) PLCG1TDP1CTDSP1L3MBTL1ALDH1A1

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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