SCHEMBL31063702

SCHEMBL31063702

CN(C)c1ccc(-c2cc(-c3ccnc(Br)c3)n[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
IDO1 P14902 1/20 0.44
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP4K4 O95819 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
CDK5 Q00535 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
POLB P06746 1/20 0.41
TNIK Q9UKE5 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23407789 0.95 APP (0.44) APPIDO1RAB9AMAPTNPC1
SCHEMBL30203744 0.95 APP (0.44) APPIDO1RAB9AMAPTNPC1
SCHEMBL30203661 0.81 IDO1 (0.42) IDO1RAB9AMAPTNPC1MAPK1
SCHEMBL23407782 0.81 IDO1 (0.42) IDO1RAB9AMAPTNPC1MAPK1
SCHEMBL30203597 0.80 IDO1 (0.43) IDO1RAB9AMAPTNPC1MAPK1
SCHEMBL26094088 0.80 RAB9A (0.56) APPIDO1RAB9AMAPTNPC1
SCHEMBL23407808 0.78 APP (0.44) APPIDO1RAB9AMAPTNPC1
SCHEMBL30203619 0.78 APP (0.44) APPIDO1RAB9AMAPTNPC1
SCHEMBL30203530 0.78 APP (0.44) APPIDO1RAB9AMAPTNPC1
SCHEMBL23407774 0.76 IDO1 (0.44) IDO1RAB9AMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024200263-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS α-SYNUCLEIN BINDING COMPOUNDS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2024-10-03 WO disclosed
EP-4438597-A1 2-STYRYLBENZOTHIAZOLE DERIVATIVES AS A-SYNUCLEIN BINDING COMPOUNDS Eberhard Karls Universität Tübingen Medizinische Fakultät (DE) 2024-10-02 EP disclosed