SCHEMBL5507004

SCHEMBL5507004

COC(=O)c1cc(CC(C)C#N)cc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MRGPRX4 Q96LA9 3/20 0.46
MAOB P27338 2/20 0.45
LNPEP Q9UIQ6 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR4A2 P43354 1/20 0.44
SMPD1 P17405 1/20 0.43
GPR132 Q9UNW8 1/20 0.43
SLC7A5 Q01650 1/20 0.43
GUSB P08236 1/20 0.42
PTGES O14684 1/20 0.42
PTPN1 P18031 1/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL2319276 0.88 LMNA (0.58) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL4213552 0.83 LMNA (0.58) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL391547 0.82 MEN1 (0.71) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL183994 0.82 LMNA (0.70) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL3132629 0.81 LMNA (0.62) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL2859259 0.80 SLC7A5 (0.60) HPGDMEN1KMT2AMRGPRX4SMN1; SMN2
SCHEMBL5505769 0.80 CA1 (0.53) LMNAHPGDMRGPRX4SLC7A5
SCHEMBL2656262 0.80 LMNA (0.56) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL731998 0.79 LMNA (0.59) LMNAHPGDMEN1KMT2AMRGPRX4
SCHEMBL1427184 0.79 GCK (0.61) LMNAHPGDMEN1KMT2AMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828147-A1 QUINOXALINES AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2006040568-A1 QUINOXALINES AS B RAF INHIBITORS ASTRAZENECA AB (SE) 2006-04-20 WO disclosed