SCHEMBL7487346

SCHEMBL7487346

CC(C)(c1cccc(-c2ccccc2C=O)c1)c1n[nH]c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.36
GRM5 P41594 1/20 0.33
IKBKB O14920 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
NOTUM Q6P988 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
PRKCQ Q04759 2/20 0.30
PTPN5 P54829 1/20 0.30

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
SCHEMBL7495774 0.87 XDH (0.43) XDHTRPV1
SCHEMBL3370341 0.74 KIF11 (0.45) XDHGRM5PTPN5
SCHEMBL7488208 0.72 KMT2A (0.41) XDH
SCHEMBL2478195 0.69 RORC (0.50) ADORA2AADORA1CNR2NOTUMPTPN5
SCHEMBL4305451 0.67 MAOA (0.50) XDHGRM5IKBKB
SCHEMBL28627082 0.66 MEN1 (0.41) XDH
SCHEMBL7495778 0.64 ABL1 (0.43)
SCHEMBL5711323 0.64 LMNA (0.57) XDHGRM5
SCHEMBL307118 0.64 ALDH1A1 (0.45) XDHGRM5ADORA1CNR1CNR2
SCHEMBL19154057 0.63 MEN1 (0.46) XDHGRM5

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
EP-1201661-A1 HETEROAROMATIC RING COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-02 EP disclosed