SCHEMBL7393264

SCHEMBL7393264

CC(C)(C)[Si](C)(C)OCC#CC(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
LMNA P02545 4/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PPID Q08752 1/20 0.39
MMP8 P22894 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
OPRK1 P41145 1/20 0.38
PADI3 Q9ULW8 1/20 0.38
PADI4 Q9UM07 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL974627 0.77 BACE1 (0.37) LMNARAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL31427583 0.74 RIPK1 (0.54) RIPK1SMN1; SMN2PPIDCYP1A2CYP2D6
SCHEMBL7402519 0.74 NPSR1 (0.35) RAB9ASMN1; SMN2CYP2C19HTTPOLB
SCHEMBL7401316 0.73 GAA (0.49) RIPK1LMNASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4949794 0.72
SCHEMBL1901972 0.72 RIPK1 (0.43) RIPK1LMNARAB9ASMN1; SMN2PPID
SCHEMBL7394877 0.71 MCL1 (0.47) RIPK1LMNASMN1; SMN2CYP1A2CYP2D6
SCHEMBL8386601 0.71 SIGMAR1 (0.37) SMN1; SMN2POLB
SCHEMBL14336905 0.70 ALDH1A1 (0.49) RIPK1SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL4705631 0.70 ADRB2 (0.38) LMNARAB9ASMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711162-A4 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS DU PONT MERCK PHARMA (US) 1996-09-04 EP disclosed
US-5545651-A HYPOTENSIVE AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-13 US disclosed
EP-0711162-A1 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-15 EP disclosed
US-5395844-A Hypotensive agents; congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-03-07 US disclosed
WO-1994028896-A1 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-12-22 WO disclosed