SCHEMBL10337115

SCHEMBL10337115

Sc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSP90AA1 P07900 1/20 0.36
BRD4 O60885 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
WDR5 P61964 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHRNB2 P17787 1/20 0.31

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) DBHL3MBTL1LMNAMEN1ALDH1A1
SCHEMBL9837718 0.83 CYP11B1 (0.51) DBHL3MBTL1LMNAMEN1ALDH1A1
SCHEMBL10578249 0.81 LMNA (0.35) DBHL3MBTL1LMNAMEN1ALDH1A1
SCHEMBL10337133 0.81 NOTUM (0.37) DBHALDH1A1CYP2D6CYP2C19HSP90AA1
SCHEMBL9836335 0.80 ALDH1A1 (0.33) ALDH1A1KMT2AHSP90AA1BRD4
SCHEMBL10595462 0.79 TLR8 (0.34) LMNAALDH1A1KMT2AHSP90AA1
SCHEMBL9400818 0.79 DBH (0.44) DBHL3MBTL1LMNACYP11B1CYP11B2
SCHEMBL3979622 0.79 DBH (0.44) DBHL3MBTL1LMNAMEN1ALDH1A1
SCHEMBL9838167 0.78 DBH (0.48) DBHL3MBTL1LMNAKMT2ASMN1; SMN2
SCHEMBL6348986 0.78 HSD17B10 (0.51) L3MBTL1MEN1ALDH1A1CYP1A2CYP3A4

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 7 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
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