SCHEMBL23720520

SCHEMBL23720520

BrCCCCCOCCCCOCCCCOCCOc1ccc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.41
MAPT P10636 3/20 0.35
APP P05067 2/20 0.35
SNCA P37840 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GABRA5 P31644 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NOS1 P29475 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.31
CYP1B1 Q16678 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GBA1 P04062 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23720317 0.98 LSS (0.39) LSSMAPTAPPSNCAKDM4E
SCHEMBL30993068 0.90 LSS (0.40) LSSMAPTKDM4EGABRA5CYP3A4
SCHEMBL23720518 0.84 LSS (0.41) LSSMAPTAPPSNCAKDM4E
SCHEMBL23720318 0.84 APP (0.37) LSSMAPTAPPSNCAKDM4E
SCHEMBL23720316 0.84 APP (0.37) LSSMAPTAPPSNCAKDM4E
SCHEMBL23720524 0.84 LSS (0.39) LSSMAPTAPPSNCAKDM4E
SCHEMBL23720315 0.84 LSS (0.39) LSSMAPTAPPSNCAKDM4E
SCHEMBL23720528 0.84 LSS (0.41) LSSMAPTAPPSNCAKDM4E
SCHEMBL23704631 0.84 APP (0.37) LSSMAPTAPPSNCAKDM4E
SCHEMBL23720314 0.84 LSS (0.41) LSSMAPTAPPSNCAKDM4E

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