SCHEMBL28293040

SCHEMBL28293040

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
ACLY P53396 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KAT6A Q92794 1/20 0.35
KCNN4 O15554 1/20 0.34
KCNA5 P22460 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8759101 0.80 MAPK1 (0.49) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL28425880 0.79 MAPT (0.41) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL16102502 0.76 MEN1 (0.46) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL21988801 0.73 MEN1 (0.44) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL28294729 0.73 MAPT (0.37) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL24214955 0.73 MAPT (0.46) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL30949517 0.73 KDM4E (0.46) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL671956 0.73 ALDH1A1 (0.46) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL16371832 0.73 KDM4E (0.46) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL21988641 0.71 MEN1 (0.44) KMT2AMAPTKDM4EMEN1ALDH1A1

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-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
CN-109694351-A Benzo-aza * derivative, preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2019-04-30 CN disclosed