SCHEMBL9587077

SCHEMBL9587077

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(CCl)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ MAPT P10636 5/20 0.51
▸ ALB P02768 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ SLC22A8 Q8TCC7 1/20 0.51
▸ SLC22A11 Q9NSA0 1/20 0.51
▸ TDP1 Q9NUW8 7/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ APEX1 P27695 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ ABCC4 O15439 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL9587073 1.00 NR1I2 (0.51) NR1I2HTR2CMAPTALBPPARG
SCHEMBL9016668 0.94 KCNH2 (0.53) NR1I2HTR2CMAPTALBPPARG
SCHEMBL9016665 0.94 KCNH2 (0.53) NR1I2HTR2CMAPTALBPPARG
SCHEMBL9781586 0.94 MAPT (0.50) NR1I2HTR2CMAPTALBPPARG
SCHEMBL9781582 0.94 MAPT (0.50) NR1I2HTR2CMAPTALBPPARG
SCHEMBL20869565 0.92 PTGS1 (0.47) NR1I2HTR2CMAPTALBPPARG
SCHEMBL19707205 0.90 MAPT (0.43) NR1I2HTR2CMAPTALBPPARG
SCHEMBL3111744 0.90 MAPT (0.43) NR1I2HTR2CMAPTALBPPARG
SCHEMBL3111746 0.90 MAPT (0.43) NR1I2HTR2CMAPTALBPPARG
SCHEMBL8180829 0.89 MAPT (0.47) NR1I2HTR2CMAPTALBPPARG

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-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 — — US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 — — EP disclosed
Send feedback