SCHEMBL9030278

SCHEMBL9030278

O=C(O)Oc1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.56
ADORA1 P30542 1/20 0.56
MAPK1 P28482 2/20 0.55
NPSR1 Q6W5P4 4/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 3/20 0.52
CNR2 P34972 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR1 P21554 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL9056926 0.88 LMNA (0.58) LMNAL3MBTL1ADORA1MAPK1NPSR1
SCHEMBL27556132 0.86 LMNA (0.56) LMNAL3MBTL1ADORA1MAPK1NPSR1
SCHEMBL2006751 0.86 L3MBTL1 (0.61) LMNAL3MBTL1ADORA1MAPK1NPSR1
SCHEMBL3234156 0.85 LMNA (0.62) LMNACNR2TP53
SCHEMBL6246071 0.85 L3MBTL1 (0.56) LMNAL3MBTL1ADORA1MAPK1NPSR1
SCHEMBL27740513 0.85 LMNA (0.54) LMNAL3MBTL1ADORA1MAPK1NPSR1
SCHEMBL2490511 0.83 LMNA (0.59) LMNACNR2TP53
SCHEMBL3237179 0.83 LMNA (0.59) LMNACNR2TP53
SCHEMBL9029071 0.81 TP53 (0.59) MEN1KMT2AALDH1A1CNR2MAPT
SCHEMBL28774126 0.80 PLA2G2A (0.49) LMNAL3MBTL1ADORA1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP disclosed