SCHEMBL9781586

SCHEMBL9781586

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(CI)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ NR1I2 O75469 4/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ ALB P02768 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ SLC22A6 Q4U2R8 1/20 0.50
▸ SLC22A8 Q8TCC7 1/20 0.50
▸ SLC22A11 Q9NSA0 1/20 0.50
▸ 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
SCHEMBL9781582 1.00 MAPT (0.50) MAPTNR1I2HTR2CALBPPARG
SCHEMBL9587077 0.94 NR1I2 (0.51) MAPTNR1I2HTR2CALBPPARG
SCHEMBL9587073 0.94 NR1I2 (0.51) MAPTNR1I2HTR2CALBPPARG
SCHEMBL17897722 0.90 MAPT (0.42) MAPTNR1I2HTR2CALBPPARG
SCHEMBL8176517 0.89 MAPT (0.47) MAPTNR1I2HTR2CALBPPARG
SCHEMBL8176515 0.89 MAPT (0.47) MAPTNR1I2HTR2CALBPPARG
SCHEMBL20869565 0.88 PTGS1 (0.47) MAPTNR1I2HTR2CALBPPARG
SCHEMBL9016665 0.88 KCNH2 (0.53) MAPTNR1I2HTR2CALBPPARG
SCHEMBL9016668 0.88 KCNH2 (0.53) MAPTNR1I2HTR2CALBPPARG
Iodide SCHEMBL9781606 0.87 NR1I2 (0.46) MAPTNR1I2HTR2CALBPPARG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010188-A Cephem derivatives EISAI CO., LTD. (JP) 1991-04-23 — — US disclosed
US-5008260-A Bactericides EISAI CO., LTD. (JP) 1991-04-16 — — US disclosed
EP-0188255-B1 CEPHEM DERIVATIVES Eisai Co., Ltd. (JP) 1991-04-03 — — EP disclosed
US-4748171-A Cephem compounds having at the 3-position a (1,4-methylene-1-piperidinio)methyl group or a (1-quinuclidinio)methyl group EISAI CO., LTD. (JP) 1988-05-31 — — US disclosed
EP-0188255-A2 Cephem derivatives Eisai Co., Ltd. (JP) 1986-07-23 — — EP disclosed
Send feedback