SCHEMBL28912331

SCHEMBL28912331

O=C(O)c1c(CC2CNCCS2)c2cc(Br)c(Cl)cc2n1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.37
REN P00797 3/20 0.33
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 1/20 0.32
EDNRA P25101 1/20 0.31

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
SCHEMBL22747833 0.75 FOLH1 (0.41) FOLH1MAPK8MAPK9MAPK10
SCHEMBL22760486 0.74 FOLH1 (0.43) FOLH1MAPK8MAPK9MAPK10EDNRA
SCHEMBL22748245 0.73 FOLH1 (0.42) FOLH1MAPK8MAPK9MAPK10
SCHEMBL22748283 0.73 FOLH1 (0.42) FOLH1MAPK8MAPK9MAPK10
SCHEMBL22747841 0.71 MAPK8 (0.52) FOLH1MAPK8MAPK9
SCHEMBL22760554 0.71 FOLH1 (0.40) FOLH1MAPK8MAPK9MAPK10
SCHEMBL22747897 0.71 FOLH1 (0.40) FOLH1MAPK8MAPK9MAPK10EDNRA
SCHEMBL22760555 0.70 FOLH1 (0.39) FOLH1MAPK8MAPK9MAPK10EDNRA
SCHEMBL22747872 0.69 KCNH2 (0.40)
SCHEMBL22760357 0.67 REN (0.38) FOLH1RENMAPK8EDNRA

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
CN-112028815-A Indole derivatives and medical application thereof 中国药科大学 2020-12-04 CN disclosed