SCHEMBL9621783

SCHEMBL9621783

COc1ccc(NC(=S)NCC(OC)OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
LMNA P02545 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAOB P27338 4/20 0.58
HPGD P15428 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 6/20 0.56
GAA P10253 2/20 0.56
MAOA P21397 3/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 1/20 0.56
ALOX12 P18054 1/20 0.54

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
SCHEMBL10465161 0.88 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL30797089 0.81 RAB9A (0.64) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL13753681 0.80 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2MAOBHPGD
SCHEMBL8167087 0.79 CYP1A2 (0.85) ALDH1A1LMNASMN1; SMN2MAOBHPGD
SCHEMBL11771677 0.78 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2MAOBHPGD
SCHEMBL3063622 0.76 ALDH1A1 (0.65) ALDH1A1LMNASMN1; SMN2MAOBHPGD
SCHEMBL3398772 0.75 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2MAOBHPGD
SCHEMBL9425121 0.75 LMNA (0.53) ALDH1A1LMNASMN1; SMN2MAOBHPGD
SCHEMBL14434551 0.75 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL12177297 0.74 HPGD (1.00) ALDH1A1LMNASMN1; SMN2MAOBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260814-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-05 EP disclosed
US-4992459-A Hypotensive agents, antiulcer agents SMITHKLINE BEECHAM CORPORATION (US) 1991-02-12 US disclosed
EP-0212066-B1 INTERMEDIATES USEFUL IN THE PREPARATION OF DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-11-22 EP disclosed
EP-0288488-A4 DOPAMINE- -HYDROXYLASE INHIBITORS 1990-09-12 EP disclosed
US-4935438-A Dopamine-β-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1990-06-19 US disclosed
US-4912226-A A 1-(benyzlsubstituted-),2-((1,3-dioneisoindolin-2-yl)alkyl thio-)imidazole SMITHKLINE BECKMAN CORPORATION (US) 1990-03-27 US disclosed
US-4882348-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-11-21 US disclosed
WO-1989006128-A1 2-CARBOXYALKYLTHIOIMIDAZOLES AND ESTERS THEREOF AS DOPAMINE-beta-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-07-13 WO disclosed
EP-0323146-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-07-05 EP disclosed
EP-0125033-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-26 EP disclosed
EP-0308573-A2 Intermediates useful in the preparation of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-29 EP disclosed
EP-0288488-A1 DOPAMINE- -HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 EP disclosed
US-4772723-A Dopamine β-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1988-09-20 US disclosed
WO-1988001267-A1 DOPAMINE-ss-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
EP-0212066-A1 Intermediates useful in the preparation of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-03-04 EP disclosed
US-4532331-A 1-Benzyl-2-aminomethyl imidazole derivatives SMITHKLINE BECKMAN CORPORATION (US) 1985-07-30 US disclosed
EP-0125783-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1984-11-21 EP disclosed
EP-0125033-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1984-11-14 EP disclosed