SCHEMBL24445447

SCHEMBL24445447

Cc1c(Br)cccc1SNCCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
HDAC8 Q9BY41 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MAPT P10636 1/20 0.33
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL29615308 0.75 RECQL (0.41) RAB9AKMT2AMEN1NPC1HTT
SCHEMBL19897765 0.75 RECQL (0.41) RAB9AKMT2AMEN1NPC1HTT
SCHEMBL10163642 0.73 CYP4F2 (0.40) RAB9AKMT2AMEN1NPC1HTT
SCHEMBL29348329 0.69 HTT (0.35) RAB9AKMT2AMEN1NPC1HTT
SCHEMBL7105655 0.68 DDB1 (0.53) RAB9AKMT2AMEN1NPC1HTT
SCHEMBL19939439 0.68 HTR7 (0.43) RAB9AKMT2ANPC1HDAC8HDAC3
SCHEMBL31042792 0.66 GAA (0.46) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL25138047 0.66 GAA (0.46) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL19939559 0.66 DPP7 (0.37) KDM4EALDH1A1
SCHEMBL22848292 0.66 KAT2B (0.40) RAB9AKMT2AMEN1NPC1HTT

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-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed