SCHEMBL20207519

SCHEMBL20207519

CO[C@@H](O)c1nc(SC)ncc1Br

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20203615 1.00 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL20207522 0.82 MEN1 (0.32) MEN1KMT2A
SCHEMBL18291671 0.81 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL18314634 0.74 LMNA (0.41) MEN1KMT2AALDH1A1
SCHEMBL19348079 0.73 IDO1 (0.33) MEN1KMT2A
SCHEMBL14994327 0.70 GAA (0.37) MEN1KMT2AALDH1A1
SCHEMBL19744117 0.70 KMT2A (0.42) MEN1KMT2AALDH1A1
SCHEMBL25022837 0.70 KDM4E (0.32) MEN1KMT2A
SCHEMBL1506526 0.69 KMT2A (0.41) MEN1KMT2AALDH1A1
SCHEMBL30934943 0.69 KMT2A (0.41) MEN1KMT2AALDH1A1

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-2018097295-A1 CRYSTAL OF PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE OR SOLVATE THEREOF 帝人ファーマ株式会社 2018-05-31 WO disclosed