SCHEMBL22670004

SCHEMBL22670004

CC1=NN(c2ccc(SN(C)C)cc2)C(=O)C1C(=O)Nc1cccc(-c2ccco2)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 11/20 0.74
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RHOA P61586 2/20 0.39
LCLAT1 Q6UWP7 3/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21294460 0.87 ACSS2 (0.81) ACSS2KDM4ENPC1MAPTRAB9A
SCHEMBL29433532 0.86 ACSS2 (0.78) ACSS2KDM4ENPC1MAPTRAB9A
SCHEMBL21305589 0.86 ACSS2 (0.78) ACSS2KDM4ENPC1MAPTRAB9A
SCHEMBL21294409 0.85 ACSS2 (0.73) ACSS2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29433482 0.85 ACSS2 (0.73) ACSS2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29433495 0.85 ACSS2 (1.00) ACSS2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL21305599 0.85 ACSS2 (1.00) ACSS2KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL21294530 0.84 ACSS2 (0.76) ACSS2KDM4ENPC1MAPTRAB9A
SCHEMBL21294428 0.81 ACSS2 (0.84) ACSS2MAPTNPSR1RHOALCLAT1
SCHEMBL21305672 0.81 ACSS2 (0.86) ACSS2KDM4ENPC1MAPTRAB9A

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-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed