SCHEMBL9865979

SCHEMBL9865979

NCc1ccccc1OC=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ IDO1 P14902 2/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ CHRM2 P08172 2/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33

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
SCHEMBL2096860 0.81 L3MBTL1 (0.50) SMN1; SMN2KDM4EHPGDALDH1A1HTT
SCHEMBL543497 0.79 EPHX1 (0.41) SMN1; SMN2KDM4EHPGDALDH1A1HTT
SCHEMBL27833150 0.79 PNMT (0.40) PNMTTAAR1SMN1; SMN2DPP4KDM4E
SCHEMBL9881101 0.77 ALDH1A1 (0.42) SMN1; SMN2KDM4EHPGDALDH1A1HTT
SCHEMBL7836900 0.76 CHRM2 (0.42) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL21538649 0.76 HPGD (0.50) SMN1; SMN2HPGDHRH1
SCHEMBL11801031 0.76 KDM4E (0.47) KDM4EALDH1A1
SCHEMBL10821234 0.76 ALDH1A1 (0.34) TAAR1SMN1; SMN2HPGDALDH1A1HTT
SCHEMBL6319190 0.75 HRH1 (0.52) PNMTTAAR1DPP4KDM4EHRH1
SCHEMBL5072948 0.75 ADH1B (0.47) KDM4EALDH1A1CHRM2CHRM1CHRM3

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
CN-104684908-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-09-28 — — CN disclosed
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
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