SCHEMBL9287071

SCHEMBL9287071

COc1ccc2c(c1)c(O)c(C(=S)N(C)c1ccc(Cl)cc1)c(=O)n2C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ PGR P06401 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HIF1A Q16665 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ EGFR P00533 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
SCHEMBL8086963 0.94 GSK3B (0.43) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9266139 0.89 MEN1 (0.54) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL10672221 0.88 MEN1 (0.56) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9287554 0.85 GSK3B (0.41) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9282960 0.84 GSK3B (0.43) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL8085817 0.83 MEN1 (0.56) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9267602 0.81 MAPT (0.41) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL10679151 0.81 KMT2A (0.60) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9269029 0.80 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9267786 0.78 GSK3B (0.41) ALDH1A1KDM4EGAAHIF1AGSK3B

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-1995024395-A1 QUINOLINE DERIVATIVES AS IMMUNOMODULATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 — — WO disclosed
Send feedback