SCHEMBL9621670

SCHEMBL9621670

COc1ccc(Cn2ccnc2S)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ DBH P09172 1/20 0.54
▸ HTT P42858 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ STAT3 P40763 1/20 0.40

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
SCHEMBL9621820 0.84 DBH (0.54) ALDH1A1DBHHTTKMT2AMAPK1
SCHEMBL9837829 0.81 ALDH1A1 (0.42) ALDH1A1DBHHTTKMT2A
SCHEMBL10593234 0.79 DBH (0.51) DBH
SCHEMBL10575691 0.79 DBH (0.33) ALDH1A1DBHKMT2AL3MBTL1CYP1A2
SCHEMBL9838126 0.79 ALDH1A1 (0.71) ALDH1A1HTTKDM4EMAPTKMT2A
SCHEMBL9622071 0.77 CYP1A2 (0.51) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL10337152 0.75 ALDH1A1 (0.49) ALDH1A1DBHHTTMAPTKMT2A
SCHEMBL10593221 0.75 LPO (0.58) ALDH1A1KDM4EMAPTKMT2AGAA
SCHEMBL23631850 0.72 ALDH1A1 (0.58) ALDH1A1DBHHTTMAPTKMT2A
SCHEMBL3807868 0.72 ALDH1A1 (0.97) ALDH1A1KMT2A

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 17 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-4863944-A Dopamine-β-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1989-09-05 — — US 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-0125783-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-04 — — 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
EP-0260814-A1 Dopamine-Beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-03-23 — — EP disclosed
WO-1988001267-A1 DOPAMINE-ss-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 — — WO disclosed
CN-87105734-A The dopamine-inhibitor — 1988-02-24 — — CN 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
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