SCHEMBL9864666

SCHEMBL9864666

O=[C]Oc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.53
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 2/20 0.41

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
SCHEMBL7290847 0.84 ALDH1A1 (0.49) GPR35MAPTALDH1A1CYP3A4LMNA
SCHEMBL4847049 0.80 GPR35 (0.58) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL11309814 0.79 MAPT (0.54) MAPTHPGDALDH1A1CYP3A4HSD17B10
SCHEMBL1852678 0.79 GPR35 (0.56) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL4839671 0.77 GPR35 (0.55) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL4840927 0.76 GPR35 (0.53) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL9864672 0.76 GPR35 (0.53) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL68980 0.75 GPR35 (0.67) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL29479746 0.75 GPR35 (0.67) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL4843320 0.75 GPR35 (0.51) GPR35MAPTHPGDALDH1A1CYP3A4

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 11 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
EP-0310214-A2 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1989-04-05 — — EP 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-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 — — EP disclosed
EP-0203722-A1 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
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