SCHEMBL28453179

SCHEMBL28453179

Cn1cc(C(=O)Nc2sc3c(c2C#N)CCN(C(=O)OC(C)(C)C)C3)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.68
ALDH1A1 P00352 7/20 0.54
MAPT P10636 7/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
CASP6 P55212 1/20 0.49
PAX8 Q06710 1/20 0.49

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
SCHEMBL28466631 0.87 STAT3 (0.73) STAT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL3421633 0.85 ALDH1A1 (0.62) STAT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL3921486 0.84 MAPT (0.62) STAT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL3423870 0.84 MAPT (0.66) STAT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL3419640 0.83 MAPT (0.79) STAT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL13739786 0.82 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL22374895 0.80 STAT3 (0.80) STAT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL22374686 0.79 STAT3 (0.84) STAT3ALDH1A1MAPTMEN1KMT2A
SCHEMBL14408985 0.79 GCGR (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3928773 0.78 ALDH1A1 (0.66) STAT3ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111763217-B Thieno-nitrogen heterocyclic compounds, preparation method and application 上海凌达生物医药有限公司 2022-06-28 CN disclosed
CN-108191885-B Piperidinothiophene micromolecule organic compound and application thereof 华东师范大学 2020-08-04 CN disclosed