SCHEMBL9865833

SCHEMBL9865833

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
ACP3 P15309 1/20 0.41
ACHE P22303 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 2/20 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 0.86 L3MBTL1 (0.43) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL9865480 0.84 ALOX5 (0.44) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL9865491 0.84 KMT2A (0.41) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL10876371 0.83 FFAR1 (0.49) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL9864581 0.83 KMT2A (0.41) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL9864571 0.83 ALOX5 (0.41) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL27671946 0.82 L3MBTL1 (0.46) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL8791339 0.76 LMNA (0.43) L3MBTL1MEN1HPGDKMT2ALMNA
Dinitrophenylene SCHEMBL9862221 0.76 TSHR (0.68) HPGDKMT2ALMNATSHRALDH1A1
SCHEMBL10638754 0.74 ATM (0.51) L3MBTL1MEN1HPGDKMT2ALMNA

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 12 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-4734504-A 1-alkylated diazolidinones ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
US-4734505-A 1-(alkylated)-2-(acylated)diazolidinones ELI LILLY AND COMPANY (US) 1988-03-29 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