SCHEMBL9865480

SCHEMBL9865480

CCOCC(C[C]=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ACP3 P15309 1/20 0.39
ACHE P22303 1/20 0.39
ATM Q13315 1/20 0.39
GLO1 Q04760 1/20 0.39

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
SCHEMBL9865841 0.87 L3MBTL1 (0.43) ALOX5KMT2AL3MBTL1MEN1HPGD
SCHEMBL9864571 0.86 ALOX5 (0.41) ALOX5KMT2AL3MBTL1MEN1HPGD
SCHEMBL9865833 0.84 L3MBTL1 (0.43) ALOX5KMT2AL3MBTL1MEN1HPGD
SCHEMBL9865491 0.82 KMT2A (0.41) ALOX5KMT2AL3MBTL1MEN1HPGD
SCHEMBL9864581 0.81 KMT2A (0.41) ALOX5KMT2AL3MBTL1MEN1HPGD
SCHEMBL10876371 0.81 FFAR1 (0.49) KMT2AL3MBTL1MEN1HPGDLMNA
SCHEMBL27671946 0.80 L3MBTL1 (0.46) ALOX5KMT2AL3MBTL1MEN1HPGD
SCHEMBL8791339 0.74 LMNA (0.43) ALOX5KMT2AL3MBTL1MEN1HPGD
Dinitrophenylene SCHEMBL9862221 0.74 TSHR (0.68) KMT2AHPGDLMNACYP2D6NPSR1
SCHEMBL9918837 0.73 PYCR1 (0.46) KMT2AL3MBTL1MEN1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
US-4826992-A MICROBIOCIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
US-4795815-A BACTERICIDES, MICROBIOCIDES ELI LILLY AND COMPANY (US) 1989-01-03 US disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed