SCHEMBL28344485

SCHEMBL28344485

C[N+](C)(CCCNC(=O)NCl)CCCS(=O)(=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.49
EPHX2 P34913 1/20 0.42
POLB P06746 2/20 0.35
GRK2 P25098 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CBLB Q13191 3/20 0.32
ATM Q13315 1/20 0.31
APAF1 O14727 1/20 0.31
DNMT1 P26358 1/20 0.31
PTPN7 P35236 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PPP1CA P62136 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31

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
SCHEMBL19734903 0.83 BBOX1 (0.58) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL27250301 0.81 EPHX2 (0.53) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL368076 0.80 BBOX1 (0.58) BBOX1POLBGRK2KMT2AL3MBTL1
SCHEMBL25459605 0.80 BBOX1 (0.54) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL35104 0.78 BBOX1 (0.47) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL35587 0.78 BBOX1 (0.47) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL25561211 0.75 BBOX1 (0.49) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL21545054 0.75 BBOX1 (0.45) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL19566615 0.75 BBOX1 (0.44) BBOX1EPHX2POLBGRK2KMT2A
SCHEMBL1133985 0.74 DNM1 (0.51) BBOX1EPHX2POLBGRK2KMT2A

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-110609443-A Photoresist compound 台湾积体电路制造股份有限公司 2019-12-24 CN disclosed