SCHEMBL7879170

SCHEMBL7879170

CC(C)(C)[C@H](N)C(=O)Nc1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 2/20 0.44
CHEK1 O14757 1/20 0.44
CIT O14578 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL13229741 0.83 FFAR2 (0.57) FFAR2RAB9ANPC1TP53MAPT
SCHEMBL21580323 0.82 FFAR2 (0.56) FFAR2RAB9ANPC1TP53MAPT
Hydrochloric Acid SCHEMBL5042270 0.81 FFAR2 (0.55) FFAR2RAB9ANPC1TP53MAPT
SCHEMBL13057030 0.78 FFAR2 (0.58) FFAR2RAB9ANPC1TP53MAPT
SCHEMBL7117272 0.78 POLB (0.57) FFAR2RAB9ANPC1TP53SMN1; SMN2
SCHEMBL1254966 0.78 POLB (0.57) FFAR2RAB9ANPC1TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL5040568 0.77 GAA (0.59) FFAR2RAB9ANPC1TP53MAPT
SCHEMBL1067999 0.76 AAK1 (0.53) FFAR2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL20473204 0.76 AAK1 (0.53) FFAR2RAB9ANPC1SMN1; SMN2GAA
SCHEMBL7868098 0.75 FFAR2 (0.56) FFAR2RAB9ANPC1SMN1; SMN2KMT2A

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