SCHEMBL23720316

SCHEMBL23720316

NCCCCOCCOCCOCCOCCOCCOc1ccc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.37
MAPT P10636 1/20 0.37
SNCA P37840 1/20 0.37
LSS P48449 2/20 0.36
GBA1 P04062 3/20 0.36
KDM4E B2RXH2 1/20 0.34
GABRA5 P31644 1/20 0.33
HTR2A P28223 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NCF1 P14598 3/20 0.31
SYK P43405 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
SCHEMBL23704631 1.00 APP (0.37) APPMAPTSNCALSSGBA1
SCHEMBL23720312 0.95 APP (0.38) APPMAPTSNCALSSGBA1
SCHEMBL23720318 0.94 APP (0.37) APPMAPTSNCALSSGBA1
SCHEMBL23720319 0.89 APP (0.40) APPMAPTSNCALSSGBA1
SCHEMBL23720317 0.86 LSS (0.39) APPMAPTSNCALSSGBA1
SCHEMBL23720528 0.84 LSS (0.41) APPMAPTSNCALSSKDM4E
SCHEMBL23720314 0.84 LSS (0.41) APPMAPTSNCALSSKDM4E
SCHEMBL23720315 0.84 LSS (0.39) APPMAPTSNCALSSKDM4E
SCHEMBL23720524 0.84 LSS (0.39) APPMAPTSNCALSSKDM4E
SCHEMBL23720493 0.84 LSS (0.39) APPMAPTSNCALSSKDM4E

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
WO-2021155006-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES AND USES THEREOF LES LABORATOIRES SERVIER SAS (FR) 2021-08-05 WO disclosed