SCHEMBL8325612

SCHEMBL8325612

COC(=O)c1c(SCc2ccc(OC)cc2)ncn1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
BRS3 P32247 1/20 0.41
SLC29A1 Q99808 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
AURKA O14965 1/20 0.39
CSNK1E P49674 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6580558 0.92 SLC22A12 (0.42) LMNABRS3SLC29A1SLC22A12SMN1; SMN2
SCHEMBL6580573 0.84 BRS3 (0.42) LMNABRS3SLC29A1SLC22A12SMN1; SMN2
SCHEMBL8434942 0.83 BRS3 (0.42) LMNABRS3SMN1; SMN2ALDH1A1
SCHEMBL8792168 0.83 EDNRA (0.41) LMNABRS3SLC29A1AURKACSNK1E
SCHEMBL8431736 0.83 BRS3 (0.42) LMNABRS3SLC22A12SMN1; SMN2AURKA
SCHEMBL8330624 0.80 EDNRB (0.40) LMNABRS3POLBTP53
SCHEMBL8323946 0.79 EDNRB (0.40) LMNABRS3SMN1; SMN2ALDH1A1
SCHEMBL7501396 0.78 EDNRA (0.45) LMNABRS3SMN1; SMN2ALDH1A1
SCHEMBL8434873 0.78 EDNRA (0.45) BRS3SLC22A12SMN1; SMN2AURKACSNK1E
SCHEMBL7501699 0.78 LMNA (0.38) LMNABRS3SLC22A12SMN1; SMN2AURKA

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
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed