SCHEMBL8489138

SCHEMBL8489138

COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)C(=O)c1cc(C)cc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL8489142 1.00 LMNA (0.41) LMNAHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL8719430 0.87 LMNA (0.43) LMNAALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL8719428 0.87 LMNA (0.43) LMNAALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL8490484 0.85 SLC7A5 (0.40) LMNA
SCHEMBL8490486 0.85 SLC7A5 (0.40) LMNA
SCHEMBL8721886 0.85 ESR1 (0.47) KMT2A
SCHEMBL8721883 0.85 ESR1 (0.47) KMT2A
SCHEMBL8724868 0.83 TACR1 (0.45) HTTALDH1A1MAPTKDM4EKMT2A
SCHEMBL8724866 0.83 TACR1 (0.45) HTTALDH1A1MAPTKDM4EKMT2A
SCHEMBL9763578 0.82 GAA (0.43) LMNAHTTALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977075-A N-aroylamino acid amides as endothelin inhibitors NOVARTIS AG (CH) 1999-11-02 US disclosed
US-5780498-A PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS CIBA-GEIGY JAPAN LIMITED (JP) 1998-07-14 US disclosed
EP-0821670-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS Novartis AG (CH) 1998-02-04 EP disclosed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO disclosed