SCHEMBL2222006

SCHEMBL2222006

CCCN(C(=O)O)c1cccc(Cc2nn(-c3cccnc3)ccc2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.40
TP53 P04637 4/20 0.40
CACNA2D1 P54289 3/20 0.38
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2221099 0.90 TP53 (0.38) GRM2TP53CACNA2D1GAATSHR
SCHEMBL2220196 0.88 ELOVL1 (0.37) GRM2TP53
SCHEMBL2219994 0.87 MEN1 (0.37) CACNA2D1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL2223717 0.86 KMT2A (0.33) TP53CACNA2D1MEN1KMT2AHTT
SCHEMBL2221804 0.85 ENPP2 (0.35) GRM2TP53CACNA2D1MEN1KMT2A
SCHEMBL2223741 0.85 PDE10A (0.34) TP53CACNA2D1MEN1KMT2AHTT
SCHEMBL2221216 0.85 OXTR (0.35) GRM2TP53GAAMEN1KMT2A
SCHEMBL2220317 0.85 GRM5 (0.38) GRM2CACNA2D1MEN1KMT2A
SCHEMBL2221341 0.84 PDE10A (0.33) TP53CACNA2D1MEN1KMT2AHTT
SCHEMBL2220117 0.83 CYP2C9 (0.41) TP53CACNA2D1GAATSHRMEN1

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-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed