SCHEMBL28384255

SCHEMBL28384255

O=S(=O)(Cc1cccc(F)c1)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MLNR O43193 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
CYP19A1 P11511 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
MGAM O43451 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
TLR2 O60603 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL23657904 0.87 MLNR (0.53) GAAMLNRMEN1KMT2AL3MBTL1
SCHEMBL28384262 0.84 TLR2 (0.49) MAOBGAAMLNRL3MBTL1EGFR
SCHEMBL28245547 0.84 TSHR (0.49) MLNRMEN1KMT2ACYP19A1MMP2
SCHEMBL28389513 0.83 TXNRD1 (0.42) MLNRMEN1KMT2AEGFRERBB2
SCHEMBL28245563 0.83 ALDH1A1 (0.46) MAOBGAAMLNRKMT2AEGFR
SCHEMBL28384301 0.81 MLNR (0.53) GAAMLNRMEN1KMT2AL3MBTL1
SCHEMBL28246432 0.81 LMNA (0.50) MAOBSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL28386527 0.81 PLCG1 (0.46) GAASMN1; SMN2MLNRMEN1KMT2A
SCHEMBL28390374 0.76 PSEN1 (0.41) GAASMN1; SMN2MLNRMEN1KMT2A
SCHEMBL779990 0.76 L3MBTL1 (0.55) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1

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-104892471-B Substance having protein tyrosine kinase inhibitory activity, preparation method and use thereof 中国人民解放军军事医学科学院放射与辐射医学研究所 2020-03-27 CN disclosed