SCHEMBL9638

SCHEMBL9638

O=CCc1cnc2ccc(Br)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.37
BACE1 P56817 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
BIRC5 O15392 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
CYP2A6 P11509 2/20 0.33
ERN1 O75460 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL12492138 0.87 CYP1A2 (0.43) TLR2BACE1BIRC5HDAC1HDAC2
SCHEMBL2621781 0.79 BACE1 (0.38) BACE1MALT1BIRC5MEN1KMT2A
SCHEMBL18562139 0.79 CYP1A2 (0.40) BACE1MALT1BIRC5MEN1KMT2A
SCHEMBL9302 0.79 ALDH1A1 (0.41) BACE1MALT1BIRC5HDAC1HDAC2
SCHEMBL273345 0.77 PDGFRB (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12850737 0.77 MALT1 (0.38) BACE1MALT1BIRC5MEN1KMT2A
SCHEMBL2621784 0.76 CCR5 (0.39) BACE1MALT1HDAC1HDAC2HDAC3
SCHEMBL20528292 0.76 BACE1 (0.47) BACE1MALT1BIRC5CYP2A6MEN1
SCHEMBL2621783 0.75 HTT (0.39) BACE1MALT1CYP2A6APPPIM1
SCHEMBL12277481 0.75 HTT (0.41) BIRC5CYP2A6HDAC8MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519384-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF Promega Corporation (US) 2025-03-12 EP disclosed
WO-2023215497-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF PROMEGA CORPORATION (US) 2023-11-09 WO disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed