SCHEMBL9332297

SCHEMBL9332297

[CH2][n+]1cc2ccccc2cc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2A6 P11509 9/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 5/20 0.35
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NQO1 P15559 1/20 0.31
NQO2 P16083 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX12 P18054 1/20 0.30
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL28316555 0.74 CYP2D6 (0.53) CYP2D6HSD17B10CYP2A6TDP1CYP1A2
SCHEMBL1048904 0.74 CYP2D6 (0.48) CYP2D6HSD17B10CYP2A6TDP1CYP1A2
SCHEMBL26202229 0.73 CYP2D6 (0.47) CYP2D6HSD17B10CYP2A6TDP1CYP1A2
SCHEMBL27646855 0.73 CYP2D6 (0.47) CYP2D6HSD17B10CYP2A6TDP1CYP1A2
SCHEMBL31094415 0.73 CYP2D6 (0.47) CYP2D6HSD17B10CYP2A6TDP1CYP1A2
SCHEMBL638086 0.73 CYP2D6 (0.47) CYP2D6HSD17B10CYP2A6TDP1CYP1A2
Iodide SCHEMBL7251052 0.73 CYP2D6 (0.47) CYP2D6HSD17B10CYP2A6TDP1CYP1A2
SCHEMBL25672196 0.70 CYP2D6 (0.62) CYP2D6HSD17B10CYP2A6TDP1CYP1A2
Bromide SCHEMBL11581318 0.68 CYP2D6 (0.61) CYP2D6HSD17B10CYP2A6TDP1CYP1A2
SCHEMBL29518518 0.63 CYP2A6 (0.55) CYP2A6TDP1CYP1A2NQO1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315997-B1 Cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA (JP) 1994-04-20 EP disclosed
CN-1022629-C Process for the preparation of novel cephalosporin compounds MEIJIE SEIKA KAISHA LTD (JP) 1993-11-03 CN disclosed
US-5028601-A Substituted with an amino thiazole group and a dihydroxy-pyridone group MEIJI SAIKA KAISHA, LTD. (JP) 1991-07-02 US disclosed
US-4971961-A ANTIBIOTICS AS BACTERICIDES AGAINST PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 1990-11-20 US disclosed
EP-0315997-A2 Cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1989-05-17 EP disclosed
CN-88102467-A Process for the preparation of cephalosporin compounds and antibiotics 1988-12-14 CN disclosed
EP-0289002-A2 Novel cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1988-11-02 EP disclosed