SCHEMBL31455313

SCHEMBL31455313

Cc1c(NC(=O)OCc2ccccc2)ccc(Br)c1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CASP3 P42574 4/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
MGLL Q99685 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAOB P27338 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL5945338 0.88 NPC1 (0.56) NPC1RAB9ACASP3HTTL3MBTL1
SCHEMBL16609952 0.86 NPC1 (0.53) NPC1RAB9ACASP3HTTL3MBTL1
SCHEMBL31455060 0.81 NPC1 (0.55) NPC1RAB9ACASP3L3MBTL1POLB
SCHEMBL28355514 0.79 MGLL (0.55) NPC1RAB9ACASP3HTTL3MBTL1
SCHEMBL3045704 0.79 NPC1 (0.65) NPC1RAB9ACASP3POLBMGLL
SCHEMBL5716053 0.77 RAB9A (0.63) NPC1RAB9ACASP3POLBMGLL
SCHEMBL7008912 0.77 NPC1 (0.59) NPC1RAB9ACASP3POLBMGLL
SCHEMBL16609950 0.77 NPC1 (0.44) NPC1RAB9ACASP3HTTL3MBTL1
SCHEMBL3986319 0.76 NPC1 (0.55) NPC1RAB9ACASP3HTTL3MBTL1
SCHEMBL5945330 0.76 NPC1 (0.55) NPC1RAB9ACASP3HTTL3MBTL1

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed