SCHEMBL23720523

SCHEMBL23720523

O=C1c2ccccc2C(=O)N1CCCCCOCCCCOCCCCOCCOc1ccc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41

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 0.99 MEN1 (0.50) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL23720519 0.98 MEN1 (0.49) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL23720527 0.90 RAB9A (0.52) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL10337042 0.78 MAPT (0.64) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL2147069 0.77 RAB9A (0.69) KMT2ARAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL29263667 0.76 RAB9A (0.55) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL1786727 0.76 TDP1 (0.54) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL12608325 0.76 TDP1 (0.54) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL23720520 0.76 LSS (0.41) RAB9AMAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL23302814 0.76 ALDH1A1 (0.56) MEN1KMT2ARAB9AMAPTSMN1; SMN2

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