SCHEMBL7876589

SCHEMBL7876589

CC(C)([CH]C(=O)Nc1ccc(N)nc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.40
NNMT P40261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRAF P15056 2/20 0.38
MAPK14 Q16539 3/20 0.38
KDR P35968 1/20 0.38
CDK8 P49336 5/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37

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
SCHEMBL7868094 0.77 TP53 (0.57) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2446207 0.76 ALDH1A1 (0.53) KITNNMTSMN1; SMN2CDK8HDAC1
SCHEMBL7024674 0.75 KDM4E (0.51) SMN1; SMN2NPC1RAB9APOLBGAA
SCHEMBL2081651 0.74 SMN1; SMN2 (0.50) NNMTSMN1; SMN2MAPK14CDK8HDAC1
SCHEMBL29403604 0.74 SMN1; SMN2 (0.50) NNMTSMN1; SMN2MAPK14CDK8HDAC1
SCHEMBL4942948 0.73 NAMPT (0.51) KIT
SCHEMBL31190971 0.73 NAMPT (0.51) KIT
SCHEMBL18291750 0.73 GABRP (0.48) KITNNMTSMN1; SMN2BRAFCDK8
SCHEMBL1691584 0.72 GABRP (0.52) KITNNMTSMN1; SMN2MAPK14KDR
SCHEMBL7876593 0.72 CIT (0.48) KITNNMTSMN1; SMN2BRAFMAPK14

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
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed