SCHEMBL28297323

SCHEMBL28297323

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCCO

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
HSP90AA1 P07900 1/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
ALDH1A1 P00352 2/20 0.63
NPC1 O15118 1/20 0.63
GAA P10253 1/20 0.63
CDC7 O00311 1/20 0.57
DBF4 Q9UBU7 1/20 0.57
PPARA Q07869 11/20 0.52
PPARD Q03181 4/20 0.51
PPARG P37231 4/20 0.51
NR1H4 Q96RI1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2886858 0.89 MAPT (0.80) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL4769034 0.85 MAPT (0.58) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL28297235 0.85 CDC7 (0.59) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL28295659 0.84 CDC7 (0.57) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL28295570 0.84 SMN1; SMN2 (0.63) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL28295521 0.84 CDC7 (0.57) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL2168235 0.84 ALDH1A1 (0.70) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL28297329 0.81 CDC7 (0.60) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL13046766 0.81 CDC7 (0.67) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL28297249 0.81 CDC7 (0.53) MEN1MAPTKMT2AKDM4EALDH1A1

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-109810071-A A kind of miRNA biosynthesis inhibitor 中国科学院成都生物研究所 2019-05-28 CN disclosed