SCHEMBL28445495

SCHEMBL28445495

Cn1cc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccncc2)C3)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.62
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
GAA P10253 4/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 6/20 0.52
MAPT P10636 6/20 0.52
KDM4E B2RXH2 4/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALOX15 P16050 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTPN1 P18031 1/20 0.51
TNNI3 P19429 1/20 0.49
TNNT2 P45379 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
SCHEMBL28451230 0.92 STAT3 (0.67) STAT3MEN1KMT2ACRHBPCRHR2
SCHEMBL28451575 0.92 STAT3 (0.64) STAT3MEN1KMT2ACRHBPCRHR2
SCHEMBL28457265 0.91 STAT3 (0.61) STAT3MEN1KMT2ACRHBPCRHR2
SCHEMBL28445497 0.91 STAT3 (0.64) STAT3MEN1KMT2ACRHBPCRHR2
SCHEMBL28451587 0.91 STAT3 (0.61) STAT3MEN1KMT2ACRHBPCRHR2
SCHEMBL28449804 0.90 STAT3 (0.61) STAT3MEN1KMT2ACRHBPCRHR2
SCHEMBL28443082 0.88 STAT3 (0.60) STAT3MEN1KMT2ACRHBPCRHR2
SCHEMBL28451763 0.88 STAT3 (0.58) STAT3MEN1KMT2ACRHBPCRHR2
SCHEMBL28449762 0.88 STAT3 (0.62) STAT3MEN1KMT2ACRHBPCRHR2
SCHEMBL28445394 0.87 STAT3 (0.60) STAT3MEN1KMT2ACRHBPCRHR2

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-108191885-B Piperidinothiophene micromolecule organic compound and application thereof 华东师范大学 2020-08-04 CN claimed
CN-108191885-B Piperidinothiophene micromolecule organic compound and application thereof 华东师范大学 2020-08-04 CN disclosed