SCHEMBL7101804

SCHEMBL7101804

COc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
EPHX2 P34913 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.55
STAT3 P40763 1/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
HIF1A Q16665 1/20 0.53
RORC P51449 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
SCHEMBL7872336 0.82 KMT2A (0.80) EPHX2SMN1; SMN2LMNAHTTNPSR1
SCHEMBL1581301 0.80 EPHX2 (0.61) CYP1A2CYP2C19EPHX2SMN1; SMN2LMNA
SCHEMBL7101800 0.77 CYP1A2 (0.53) CYP1A2CYP2C19SMN1; SMN2LMNAKMT2A
SCHEMBL8988613 0.77 RORC (0.55) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL5469490 0.76 SMN1; SMN2 (0.66) CYP1A2CYP2C19EPHX2SMN1; SMN2LMNA
SCHEMBL15876305 0.76 KMT2A (0.58) CYP1A2CYP2C19EPHX2SMN1; SMN2LMNA
SCHEMBL19427446 0.76 EPHX2 (0.80) CYP2C19EPHX2SMN1; SMN2LMNAHTT
SCHEMBL15758031 0.75 EPHX2 (0.70) EPHX2SMN1; SMN2LMNAHTTNPSR1
SCHEMBL8410450 0.75 LMNA (0.59) SMN1; SMN2LMNAHTTNPSR1KMT2A
SCHEMBL5443977 0.75 RORC (0.72) EPHX2SMN1; SMN2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003101941-A2 ALPHA ACYLOXYACETAMIDES FOR KALLIKREIN AND UROKINASE INHIBITION GENZYME CORPORATION (US) 2003-12-11 WO disclosed