SCHEMBL6998874

SCHEMBL6998874

O=C(NCO)c1nc2ccccc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.71
TP53 P04637 1/20 0.69
CNR1 P21554 3/20 0.64
CNR2 P34972 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
PKM P14618 2/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 2/20 0.63
LMNA P02545 2/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
CASP1 P29466 1/20 0.61
MAOB P27338 2/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL1193406 0.84 L3MBTL1 (0.63) L3MBTL1TP53CNR1CNR2SMN1; SMN2
SCHEMBL210149 0.83 SMN1; SMN2 (0.67) L3MBTL1TP53CNR1CNR2SMN1; SMN2
SCHEMBL19380255 0.83 L3MBTL1 (0.66) L3MBTL1TP53CNR1CNR2SMN1; SMN2
SCHEMBL5330099 0.83 L3MBTL1 (1.00) L3MBTL1TP53CNR1CNR2SMN1; SMN2
SCHEMBL30147568 0.80 ALDH1A1 (0.69) L3MBTL1TP53CNR1CNR2SMN1; SMN2
SCHEMBL13407890 0.80 ALDH1A1 (0.69) L3MBTL1TP53CNR1CNR2SMN1; SMN2
SCHEMBL1769747 0.79 L3MBTL1 (0.64) L3MBTL1TP53CNR1CNR2SMN1; SMN2
SCHEMBL1769743 0.79 L3MBTL1 (0.64) L3MBTL1TP53CNR1CNR2SMN1; SMN2
SCHEMBL30248312 0.79 CNR1 (0.75) L3MBTL1TP53CNR1CNR2SMN1; SMN2
SCHEMBL14345990 0.79 L3MBTL1 (0.80) L3MBTL1TP53CNR1CNR2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed