SCHEMBL23720527

SCHEMBL23720527

O=C1c2ccccc2C(=O)N1CCOCCOCCOCCOCCOCCOc1ccc(Br)cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 3/20 0.46
TSHR P16473 3/20 0.46
NPC1 O15118 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL23720531 0.91 MEN1 (0.50) RAB9AKMT2AMEN1HPGDTSHR
SCHEMBL23720523 0.90 MEN1 (0.49) RAB9AKMT2AMEN1HPGDTSHR
SCHEMBL23720519 0.90 MEN1 (0.49) RAB9AKMT2AMEN1HPGDTSHR
SCHEMBL7519591 0.78 GAA (0.60) RAB9AKMT2AHPGDTSHRNPC1
SCHEMBL8862746 0.78 GAA (0.60) RAB9AKMT2AHPGDTSHRNPC1
SCHEMBL8862856 0.78 GAA (0.60) RAB9AKMT2AHPGDTSHRNPC1
SCHEMBL8862940 0.78 GAA (0.60) RAB9AKMT2AHPGDTSHRNPC1
SCHEMBL2743018 0.77 HPGD (0.61) RAB9AKMT2AHPGDTSHRNPC1
SCHEMBL29132345 0.75 RAB9A (0.52) RAB9AHPGDTSHRNPC1NPSR1
SCHEMBL3591703 0.75 HPGD (0.74) RAB9AKMT2AMEN1HPGDTSHR

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