SCHEMBL2432438

SCHEMBL2432438

CCC(C(=O)O)c1ccc(NC(=O)c2c[nH]c3ccccc23)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CFTR P13569 7/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NHERF1 O14745 1/20 0.42
HAT1 O14929 2/20 0.42
EP300 Q09472 2/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 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
SCHEMBL92350 0.79 NPC1 (0.57) NPC1MEN1KMT2ACFTRALDH1A1
SCHEMBL2430369 0.78 NPC1 (0.50) NPC1MEN1KMT2ACFTRNHERF1
SCHEMBL27596527 0.77 NPC1 (0.52) NPC1MEN1KMT2ACFTRALDH1A1
SCHEMBL8258117 0.76 NPC1 (0.65) NPC1MEN1KMT2ACFTRALDH1A1
SCHEMBL2432899 0.75 RAB9A (0.43) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL14592280 0.75 PKM (0.51) NPC1MEN1KMT2ACFTRMAPT
SCHEMBL27578666 0.74 NPC1 (0.58) NPC1MEN1KMT2ACFTRMAPT
SCHEMBL1308599 0.72 CDK2 (0.61) NPC1MEN1KMT2ACFTRMAPT
SCHEMBL27075304 0.70 NPC1 (0.68) NPC1MEN1KMT2ACFTRALDH1A1
SCHEMBL92386 0.69 NPC1 (0.64) NPC1MEN1KMT2ACFTRALDH1A1

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-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed