SCHEMBL23355181

SCHEMBL23355181

Cc1ccc(F)c(C(=O)NC(C)C(=O)c2ccccc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
GPR139 Q6DWJ6 1/20 0.37
SLC6A2 P23975 3/20 0.36
CHRNA1 P02708 2/20 0.36
CHRNG P07510 2/20 0.36
CHRNB1 P11230 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
SLC6A4 P31645 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL23355178 0.82 ITGB2 (0.48) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL23355170 0.76 TYK2 (0.45) ALDH1A1SMN1; SMN2SLC6A2CHRNA1CHRNG
SCHEMBL30695663 0.75 GAA (0.54) RAB9AALDH1A1MEN1KMT2AHTT
SCHEMBL23355193 0.74 ITGA4 (0.48) SMN1; SMN2LMNAMAPK1ITGB1ITGA4
SCHEMBL5700509 0.74 SMN1; SMN2 (0.54) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL23355180 0.73 CAPN1 (0.49) L3MBTL1ITGB1ITGA4
SCHEMBL29961792 0.72 CAPN1 (0.58) L3MBTL1ITGB1ITGA4ITGB2ICAM1
SCHEMBL24008799 0.72 CAPN1 (0.58) L3MBTL1ITGB1ITGA4ITGB2ICAM1
SCHEMBL1287117 0.72 PGR (0.47) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3495542 0.72 PGR (0.47) NPC1RAB9AALDH1A1HPGDSMN1; 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
EP-3820864-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS Blade Therapeutics, Inc. (US) 2021-05-19 EP disclosed