SCHEMBL10655985

SCHEMBL10655985

Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ MCOLN3 Q8TDD5 2/20 0.55
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MTOR P42345 1/20 0.43
▸ KCNQ3 O43525 2/20 0.41
▸ KCNQ2 O43526 2/20 0.41
▸ KCNE1 P15382 2/20 0.41
▸ KCNQ1 P51787 2/20 0.41
▸ KCNQ5 Q9NR82 1/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ AKR1C3 P42330 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
SCHEMBL11781452 0.84 HDAC1 (0.47) HPGDNPSR1MCOLN3HDAC1HDAC6
SCHEMBL27002437 0.81 NPSR1 (0.51) HPGDNPSR1MCOLN3HDAC1HDAC6
SCHEMBL16905393 0.80 HDAC1 (0.58) HPGDHDAC1HDAC6ALDH1A1LMNA
SCHEMBL16689552 0.77 HDAC1 (0.58) HDAC1HDAC6ALDH1A1LMNAKDM4E
SCHEMBL30786345 0.76 HPGD (0.66) HPGDHDAC1HDAC6ALDH1A1LMNA
SCHEMBL471664 0.76 HPGD (0.66) HPGDHDAC1HDAC6ALDH1A1LMNA
SCHEMBL4102311 0.76 NPSR1 (0.60) HPGDNPSR1MCOLN3ALDH1A1LMNA
SCHEMBL5776326 0.75 HDAC1 (0.51) HPGDHDAC1HDAC6ALDH1A1LMNA
SCHEMBL22194152 0.75 NPSR1 (0.44) HPGDNPSR1MCOLN3HDAC1HDAC6
SCHEMBL30727808 0.75 NPSR1 (0.44) HPGDNPSR1MCOLN3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133310-B1 IMIDAZOLIDINONES, AND IMIDAZOLIDINETHIONES, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1988-09-14 — — EP disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 — — US disclosed
US-4554013-A Herbicidal imidazolinyl naphthoic acids AMERICAN CYANAMID COMPANY (US) 1985-11-19 — — US disclosed
EP-0133311-A2 Substituted imidazolinyl benzoic acids, esters and salts and use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 — — EP disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 — — EP disclosed
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