SCHEMBL9836342

SCHEMBL9836342

Fc1ccc(Cn2ccnc2S)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP19A1 P11511 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
DBH P09172 1/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
SOS1 Q07889 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 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
SCHEMBL9838297 0.84 MEN1 (0.51) CYP11B1CYP11B2CYP19A1MAPTTHRB
SCHEMBL1320600 0.82 ALDH1A1 (0.44) CYP19A1DBHLMNASMN1; SMN2L3MBTL1
SCHEMBL12305079 0.82 TP53 (0.50) RAB9ACYP11B1CYP11B2CYP19A1MAPT
SCHEMBL10574237 0.82 CYP11B1 (0.46) CYP11B1CYP11B2LMNAL3MBTL1
SCHEMBL9400818 0.82 DBH (0.44) RAB9ACYP11B1CYP11B2DBHLMNA
SCHEMBL6348986 0.81 HSD17B10 (0.51) CYP11B1CYP11B2CYP19A1MAPTKDM4E
SCHEMBL10400364 0.81 ALDH1A1 (0.42) RAB9ACYP11B1CYP11B2DBHLMNA
SCHEMBL9838236 0.80 CYP11B1 (0.51) RAB9ACYP11B1CYP11B2CYP19A1THRB
SCHEMBL28617449 0.80 GRM2 (0.52) RAB9ACYP11B1CYP11B2CYP19A1MAPT
SCHEMBL7686598 0.79 RAB9A (0.48) RAB9ACYP11B1CYP11B2CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125033-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-04-26 EP claimed
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
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
WO-1988001267-A1 DOPAMINE-ss-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
EP-0125033-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1984-11-14 EP disclosed