SCHEMBL23739009

SCHEMBL23739009

CSCc1nc2ccc(C)cc2nc1CSC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 3/20 0.36
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.30
NCK1 P16333 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL20880273 1.00 NQO2 (0.43) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL16644141 0.89 NQO2 (0.53) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL16644172 0.81 NQO2 (0.46) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL24115639 0.80 NQO2 (0.44) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL24115643 0.78 NQO2 (0.42) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL24115709 0.77 NQO2 (0.49) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL16639680 0.76 NPC1 (0.38) KDM4EALDH1A1MAPTTDP1RAB9A
SCHEMBL24115646 0.75 NPC1 (0.41) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL18866930 0.74 NPC1 (0.39) KDM4EALDH1A1L3MBTL1MAPTTDP1
SCHEMBL19432353 0.73 NQO2 (0.59) NQO2KDM4EALDH1A1L3MBTL1MAPT

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
EP-3590541-B1 DRUG-CONJUGATES AND USES THEREOF CONCORTIS BIOSYSTEMS CORP (US) 2021-08-11 EP disclosed