SCHEMBL23720320

SCHEMBL23720320

OCCCOCCOCCOCCOCCOc1ccc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.38
MAPT P10636 1/20 0.38
SNCA P37840 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LSS P48449 4/20 0.37
GABRA5 P31644 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
DGAT1 O75907 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
SCHEMBL23720524 0.95 LSS (0.39) APPMAPTSNCAKDM4ELSS
SCHEMBL23720315 0.95 LSS (0.39) APPMAPTSNCAKDM4ELSS
SCHEMBL23720493 0.95 LSS (0.39) APPMAPTSNCAKDM4ELSS
SCHEMBL23720517 0.94 LSS (0.38) APPMAPTSNCAKDM4ELSS
SCHEMBL23720518 0.92 LSS (0.41) APPMAPTSNCAKDM4ELSS
SCHEMBL23720314 0.92 LSS (0.41) APPMAPTSNCAKDM4ELSS
SCHEMBL23720528 0.92 LSS (0.41) APPMAPTSNCAKDM4ELSS
SCHEMBL2468915 0.92 KDM4E (0.41) KDM4ELSSGABRA5CYP11B1CYP11B2
SCHEMBL23720530 0.90 APP (0.40) APPMAPTSNCAKDM4ELSS
SCHEMBL14211685 0.90 APP (0.40) APPMAPTSNCAKDM4ELSS

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