SCHEMBL7876544

SCHEMBL7876544

CC(C)([CH]C(=O)Nc1nncs1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NR3C1 P04150 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL6056906 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL10467309 0.75
SCHEMBL7868165 0.74 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6424749 0.74 NPC1 (0.54) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL12599389 0.74 NR3C1 (0.53) RAB9ANPC1SMN1; SMN2LMNANR3C1
SCHEMBL564354 0.73
SCHEMBL7874773 0.72 RAB9A (0.49) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL19974323 0.71 NPC1 (0.58) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL19974322 0.71 NPC1 (0.58) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL7876547 0.71 FFAR2 (0.52) RAB9ANPC1SMN1; SMN2LMNAKDM4E

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