SCHEMBL7874773

SCHEMBL7874773

Cc1cnc(NC(=O)[CH]C(C)(C)C(N)=O)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.49
NPC1 O15118 12/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.47
PKM P14618 3/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 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
SCHEMBL26818237 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL31321054 0.76 GSTO1 (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7868165 0.76 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6056906 0.75 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2880446 0.74 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5875690 0.74 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19974146 0.74 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19974148 0.74 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3794688 0.73 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2175131 0.72 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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