SCHEMBL9621820

SCHEMBL9621820

COc1ccc(Cn2ccnc2S)cc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DBH P09172 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL10337152 0.90 ALDH1A1 (0.49) DBHALDH1A1HTTCYP17A1GRK2
SCHEMBL9621670 0.84 ALDH1A1 (0.55) DBHALDH1A1HTTMAPK1SMN1; SMN2
SCHEMBL9837829 0.83 ALDH1A1 (0.42) DBHALDH1A1HTTTDP1KMT2A
SCHEMBL10400364 0.83 ALDH1A1 (0.42) DBHALDH1A1HTTCYP17A1LMNA
SCHEMBL9622057 0.82 DBH (0.51) DBHALDH1A1HTTCYP19A1TDP1
SCHEMBL10594119 0.79 DBH (0.51) DBHCYP17A1CYP19A1RAB9A
SCHEMBL9838126 0.79 ALDH1A1 (0.71) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL9622071 0.77 CYP1A2 (0.51) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL10593221 0.75 LPO (0.58) ALDH1A1ROCK2LMNAKMT2A
SCHEMBL9836342 0.75 RAB9A (0.48) DBHCYP19A1SMN1; SMN2LMNAL3MBTL1

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 13 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 claimed
US-4992459-A Hypotensive agents, antiulcer agents SMITHKLINE BEECHAM CORPORATION (US) 1991-02-12 — — US claimed
EP-0288488-A4 DOPAMINE- -HYDROXYLASE INHIBITORS — 1990-09-12 — — EP claimed
EP-0288488-A1 DOPAMINE- -HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 — — EP claimed
EP-0260814-A1 Dopamine-Beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-03-23 — — EP claimed
WO-1988001267-A1 DOPAMINE-ss-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 — — WO claimed
CN-87105734-A The dopamine-inhibitor — 1988-02-24 — — CN claimed
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-0288488-A4 DOPAMINE- -HYDROXYLASE INHIBITORS — 1990-09-12 — — EP disclosed
EP-0288488-A1 DOPAMINE- -HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 — — EP 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
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