SCHEMBL7868167

SCHEMBL7868167

Cc1nnc(NC(=O)[C@@H](N)C(C)(C)C)s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAF1 P04049 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
SCHEMBL8245945 0.81 POLB (0.62) POLBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL9290603 0.78 POLB (0.66) POLBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL7874774 0.75 FFAR2 (0.53) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12599386 0.74 CA1 (0.58) POLBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL7876547 0.73 FFAR2 (0.52) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21222557 0.73 TP53 (0.66) POLBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL2629359 0.71 SMN1; SMN2 (0.65) POLBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL19295803 0.71 TP53 (0.52) POLBTP53SMN1; SMN2ALDH1A1TDP1
SCHEMBL3523296 0.70 TP53 (0.58) POLBTP53SMN1; SMN2NPC1RAB9A
SCHEMBL15386264 0.70 CA1 (0.61) POLBTP53SMN1; SMN2NPC1RAB9A

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