SCHEMBL22678264

SCHEMBL22678264

CC1=NN(c2ccccc2)C(=O)C1(O)C(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
GRK5 P34947 1/20 0.39
CDK8 P49336 1/20 0.39
GAA P10253 4/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL14886856 0.71 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL420793 0.71 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL419794 0.70 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL11047547 0.69 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL6931199 0.69 KMT2A (0.52) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL443581 0.69 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL17290978 0.69 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL18770544 0.69 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL18770453 0.69 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL28585189 0.68 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ARAB9ANPC1

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-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed