SCHEMBL7401396

SCHEMBL7401396

CCCCc1ncc(C(=S)c2ccc(OC)cc2OCC(=O)OC(C)(C)C)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TNFRSF1A P19438 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PKM P14618 1/20 0.34
CNR2 P34972 2/20 0.34
HPGD P15428 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL8132790 0.97 ALOX15 (0.46) ALOX15ALDH1A1LMNANPSR1PSEN1
SCHEMBL7398911 0.91 ALOX15 (0.51) ALOX15ALDH1A1LMNANPSR1PSEN1
SCHEMBL7401038 0.77 NPC1 (0.39) ALOX15ALDH1A1LMNAMEN1KMT2A
SCHEMBL7402718 0.74 ALOX15 (0.60) ALOX15ALDH1A1LMNANPSR1KMT2A
SCHEMBL7394496 0.72 PTPN1 (0.36) ALOX15ALDH1A1LMNANPSR1PSEN1
SCHEMBL7400017 0.72 ALOX15 (0.53) ALOX15ALDH1A1LMNANPSR1PKM
SCHEMBL7402017 0.71 HDAC3 (0.40) ALDH1A1MEN1KMT2AHDAC3HDAC1
SCHEMBL17221355 0.65 MEN1 (0.43) ALDH1A1LMNANPSR1PSEN1PSEN2
SCHEMBL7395406 0.65 HDAC3 (0.41) ALDH1A1LMNAMEN1KMT2AHDAC3
SCHEMBL13515779 0.64 NPC1 (0.58) ALDH1A1NPSR1MEN1KMT2ATNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650484-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-01-26 EP disclosed
US-5559105-A ANTAGONIST FOR ENDOTHELIN RECEPTORS, HYPOTENSIVE AGENTS, TREATMENT OF KIDNEY FAILURE OR CEREBROVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1996-09-24 US disclosed
EP-0650484-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-03 EP disclosed
WO-1994002474-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-02-03 WO disclosed