SCHEMBL5214944

SCHEMBL5214944

O=C(NCCc1cccc(-c2cccnc2)c1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.70
MEN1 O00255 2/20 0.70
NPC1 O15118 2/20 0.70
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
GAA P10253 1/20 0.65
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
TBXAS1 P24557 1/20 0.61
PTAFR P25105 5/20 0.60
CDK4 P11802 1/20 0.60
CCND1 P24385 1/20 0.60
EPHX2 P34913 1/20 0.60
NAMPT P43490 2/20 0.59
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.58
CTSV O60911 1/20 0.58
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58

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
SCHEMBL4662136 0.85 RAB9A (0.83) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL2129716 0.83 RAB9A (1.00) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL30969954 0.83 RAB9A (1.00) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL5218649 0.82 TRPV1 (0.58) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL16771883 0.81 P2RX7 (0.52) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL2134032 0.81 HDAC1 (0.67) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL21045299 0.78 PTAFR (0.62) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL29411591 0.78 PTAFR (0.62) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL5215127 0.78 EPHX2 (0.50) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL1928843 0.77 SMN1; SMN2 (0.65) RAB9ANPC1KMT2ASMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 EP claimed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP claimed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed