SCHEMBL28425880

SCHEMBL28425880

CS(=O)(=O)c1cc(B(O)O)ccc1-n1cccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
ENPP2 Q13822 1/20 0.38
ACLY P53396 2/20 0.36
KAT6A Q92794 3/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL28293040 0.79 KMT2A (0.40) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL8759101 0.76 MAPK1 (0.49) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL28294729 0.70 MAPT (0.37) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL540011 0.68 NOTUM (0.58) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL4010773 0.68 ENPP2 (0.52) ALDH1A1LMNAGAAENPP2
SCHEMBL27639051 0.68 ACLY (0.51) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL25806679 0.68 TP53 (0.44) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL552775 0.67 LMNA (0.47) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL15266274 0.67 MAPK1 (0.49) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL8705696 0.67 SLC9A1 (0.43) MAPTMEN1ALDH1A1KMT2AKDM4E

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-109694351-B Benzazepine derivatives, process for their preparation and their use in medicine 江苏恒瑞医药股份有限公司 2020-07-28 CN disclosed