SCHEMBL28204154

SCHEMBL28204154

FC(F)(F)c1cc(Br)cc2c1NCC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.38
PARP11 Q9NR21 2/20 0.38
AR P10275 3/20 0.37
PARP1 P09874 2/20 0.35
PNMT P11086 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
KDM1A O60341 2/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CRHBP P24387 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 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
SCHEMBL19962679 0.77 MEN1 (0.44) PARP10PARP11ARPARP1KDM1A
SCHEMBL2880311 0.76 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3
SCHEMBL4870530 0.75 PARP10 (0.43) PARP10PARP11PARP1PNMTASIC3
SCHEMBL3345163 0.73 PARP10 (0.39) PARP10PARP11PARP1PNMTASIC3
SCHEMBL4869350 0.72 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3
SCHEMBL12525236 0.72 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3
SCHEMBL8648955 0.72 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3
SCHEMBL25209388 0.70 CES1 (0.40) PARP10PARP11ARPARP1PNMT
SCHEMBL31238797 0.70 CES1 (0.40) PARP10PARP11ARPARP1PNMT
SCHEMBL24069033 0.69 PARP10 (0.31) PARP10PARP11HTR2AHTR2CHTR2B

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-107750250-A Indolone compounds and their use as ampa receptor modulators 詹森药业有限公司 2018-03-02 CN disclosed