SCHEMBL7879229

SCHEMBL7879229

NC(=O)c1csc(NC(=O)[CH]CCC(=O)N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.43
RAB9A P51151 2/20 0.42
DHFR P00374 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 3/20 0.40
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
HSD11B1 P28845 1/20 0.37
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 2/20 0.36
FKBP1A P62942 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL28176249 0.68 HTR2C (0.52) RAB9ASMN1; SMN2HPGDNPC1
SCHEMBL28720635 0.68 ALOX5 (0.58) LMNAGAA
SCHEMBL417371 0.67 HTT (0.51) RAB9ADHFREGFRLMNAALDH1A1
SCHEMBL19974165 0.67 L3MBTL1 (0.46) RAB9ALMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL19974166 0.67 L3MBTL1 (0.46) RAB9ALMNAALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5008548 0.67 L3MBTL1 (0.54) RAB9ALMNASMN1; SMN2NPC1
SCHEMBL6056911 0.67 PDE5A (0.46) RAB9ALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL7879205 0.66 EPHX2 (0.38) RAB9AHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL21066336 0.65 L3MBTL1 (0.54) RAB9ALMNASMN1; SMN2MAPTMAPK1
SCHEMBL17925452 0.65 LMNA (0.52) RAB9ADHFREGFRLMNASMN1; SMN2

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