SCHEMBL22747833

SCHEMBL22747833

O=C(O)c1c(CN2CCSCC2)c2cc(Br)c(Cl)cc2n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.41
MAPK8 P45983 4/20 0.39
MAPK9 P45984 4/20 0.39
CYP2A13 Q16696 1/20 0.38
MAPT P10636 2/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
P4HB P07237 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL22760486 0.91 FOLH1 (0.43) FOLH1MAPK8MAPK9MAPTMAPK10
SCHEMBL22748283 0.90 FOLH1 (0.42) FOLH1MAPK8MAPK9MAPTMAPK10
SCHEMBL22748245 0.90 FOLH1 (0.42) FOLH1MAPK8MAPK9MAPTMAPK10
SCHEMBL22760360 0.89 MAPT (0.47) MAPK8MAPK9MAPTMAPK10ALDH1A1
SCHEMBL22747841 0.88 MAPK8 (0.52) FOLH1MAPK8MAPK9CYP2A13MAPT
SCHEMBL22747897 0.87 FOLH1 (0.40) FOLH1MAPK8MAPK9MAPTMAPK10
SCHEMBL22760554 0.87 FOLH1 (0.40) FOLH1MAPK8MAPK9MAPTMAPK10
SCHEMBL22760465 0.86 CYP2A13 (0.40) CYP2A13MAPTALDH1A1LMNANPSR1
SCHEMBL22760555 0.86 FOLH1 (0.39) FOLH1MAPK8MAPK9MAPTMAPK10
SCHEMBL22760225 0.79 FOLH1 (0.44) FOLH1MAPK8MAPK9MAPK10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
CN-112028815-A Indole derivatives and medical application thereof 中国药科大学 2020-12-04 CN disclosed