SCHEMBL19937141

SCHEMBL19937141

CSCc1nc2ccccc2nc1CSC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 3/20 0.40
NQO2 P16083 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.36
RAD52 P43351 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL22342230 0.90 MAPT (0.37) MAPTALDH1A1MAPK1POLBKDM4E
SCHEMBL22342229 0.87 ALDH1A1 (0.55) MAPTALDH1A1MAPK1POLBKDM4E
SCHEMBL20734754 0.77 ALDH1A1 (0.47) MAPTALDH1A1MAPK1POLBKDM4E
SCHEMBL2491027 0.77 KDM4E (0.53) MAPTALDH1A1MAPK1POLBKDM4E
SCHEMBL16644141 0.77 NQO2 (0.53) MAPTALDH1A1POLBKDM4ENQO2
Ammonia Solution, Strong SCHEMBL28585108 0.75 KDM4E (0.52) MAPTALDH1A1MAPK1POLBKDM4E
SCHEMBL24115709 0.74 NQO2 (0.49) MAPTALDH1A1MAPK1POLBKDM4E
Hydrochloric Acid SCHEMBL28608867 0.73 KDM4E (0.50) MAPTALDH1A1MAPK1POLBKDM4E
SCHEMBL18866930 0.73 NPC1 (0.39) MAPTALDH1A1POLBKDM4EHSD17B10
SCHEMBL16643873 0.73 MEN1 (0.36) MAPTALDH1A1MAPK1KDM4EHSD17B10

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-2018045090-A1 BISPECIFIC ANTIBODIES IMMUNOMAB, INC. (US) 2018-03-08 WO disclosed