SCHEMBL28024232

SCHEMBL28024232

CC(Br)c1ccc2nc(C#N)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SCN4A P35499 1/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 2/20 0.38
APP P05067 4/20 0.37
PSMB8 P28062 2/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1G2 P78368 1/20 0.35
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
USP30 Q70CQ3 1/20 0.34
ALOX5 P09917 1/20 0.34
PIK3CG P48736 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL17211305 0.88 RAB9A (0.59) NPC1RAB9ASMN1; SMN2SCN4AMEN1
SCHEMBL17840962 0.78 CYP3A4 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1454367 0.76 APP (0.43) NPC1RAB9ASMN1; SMN2SCN4AMEN1
SCHEMBL730573 0.76 RAB9A (0.49) NPC1RAB9ASMN1; SMN2DYRK1AAPP
SCHEMBL12872411 0.76 RAB9A (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3901472 0.73 APP (0.56) MEN1KMT2ADYRK1AAPPCSNK1D
SCHEMBL140656 0.72 HTT (0.56) DYRK1AAPP
SCHEMBL12312853 0.72 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19190176 0.72 APP (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20681327 0.72 DYRK1A (0.42) MEN1KMT2ADYRK1AAPPPSMB8

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
CN-104736524-A Novel compound for imaging Tau protein accumulated in brain NAT INST RADIOLOG 2015-06-24 CN disclosed