SCHEMBL23355178

SCHEMBL23355178

CC(NC(=O)c1c(F)cccc1F)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.48
ICAM1 P05362 2/20 0.48
ITGAL P20701 2/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
PPIA P62937 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ITGA4 P13612 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41

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
SCHEMBL23355193 0.88 ITGA4 (0.48) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL8402593 0.83 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL8402596 0.83 SMN1; SMN2 (0.59) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL23355181 0.82 NPC1 (0.40) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL5700509 0.81 SMN1; SMN2 (0.54) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL23355170 0.81 TYK2 (0.45) ITGB2ICAM1ITGALSMN1; SMN2PSMB5
SCHEMBL7135256 0.78 ITGB2 (0.53) ITGB2ICAM1ITGALRAB9AMEN1
SCHEMBL318250 0.77 ITGB2 (0.40) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL16857265 0.77 CES2 (0.49) ITGB2ICAM1ITGALLMNASMN1; SMN2
SCHEMBL1287117 0.76 PGR (0.47) LMNASMN1; SMN2NPC1RAB9AMEN1

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
EP-3820864-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS Blade Therapeutics, Inc. (US) 2021-05-19 EP disclosed