SCHEMBL6203549

SCHEMBL6203549

CC1(C)C(C(=O)Nc2cccc(-c3n[nH]cc3-c3nc4ncccc4o3)c2)C1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 3/20 0.52
PKM P14618 1/20 0.52
FAAH O00519 2/20 0.51
KDM4E B2RXH2 6/20 0.51
HSD17B10 Q99714 5/20 0.51
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 3/20 0.50
TP53 P04637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIRT1 Q96EB6 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL6202061 0.81 FAAH (0.58) SMN1; SMN2GAAFAAHKDM4EHSD17B10
SCHEMBL6203431 0.80 GAA (0.60) SMN1; SMN2GAAPKMFAAHKDM4E
SCHEMBL6203082 0.79 HSD17B10 (0.56) SMN1; SMN2GAAPKMFAAHKDM4E
SCHEMBL6203041 0.79 FAAH (0.50) SMN1; SMN2GAAPKMFAAHKDM4E
SCHEMBL6201149 0.79 GAA (0.54) SMN1; SMN2GAAPKMFAAHKDM4E
SCHEMBL6200946 0.79 PKM (0.54) SMN1; SMN2GAAPKMFAAHKDM4E
SCHEMBL6203914 0.77 KDM4E (0.52) SMN1; SMN2GAAPKMFAAHKDM4E
SCHEMBL6200627 0.77 HSD17B10 (0.48) SMN1; SMN2GAAPKMFAAHKDM4E
SCHEMBL6203580 0.76 HSD17B10 (0.48) SMN1; SMN2GAAPKMFAAHKDM4E
SCHEMBL6201345 0.74 RAB9A (0.60) SMN1; SMN2GAAPKMKDM4EHSD17B10

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed