SCHEMBL29429210

SCHEMBL29429210

COC(=O)c1ncccc1C#CCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
METAP1 P53582 1/20 0.39
ATR Q13535 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
P2RY6 Q15077 1/20 0.37
NAMPT P43490 1/20 0.36
VCP P55072 1/20 0.36
CYP3A4 P08684 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL23177723 1.00 PTPN11 (0.46) PTPN11DDB1CRBNL3MBTL1METAP1
SCHEMBL23789478 0.84 DDB1 (0.49) PTPN11DDB1CRBNL3MBTL1METAP1
SCHEMBL26674015 0.80 PTPN11 (0.49) PTPN11DDB1CRBNATRCA12
SCHEMBL25278585 0.80 PTPN11 (0.45) PTPN11DDB1CRBNL3MBTL1ATR
SCHEMBL30759281 0.79 PTPN11 (0.44) PTPN11DDB1CRBNL3MBTL1METAP1
SCHEMBL27140539 0.77 PTPN11 (0.45) PTPN11DDB1CRBNL3MBTL1METAP1
SCHEMBL27140412 0.77 PTPN11 (0.44) PTPN11DDB1CRBNL3MBTL1KDM4E
SCHEMBL30759274 0.76 PTPN11 (0.47) PTPN11DDB1CRBNL3MBTL1METAP1
SCHEMBL23177724 0.74 CA1 (0.47) L3MBTL1CA12CA1CA2CA9
SCHEMBL26673962 0.74 PTPN11 (0.53) PTPN11DDB1CRBNCA12CA1

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-110511220-B P-diaminobenzene derivatives as potassium channel modulators, process for their preparation and their use in medicine 上海挚盟医药科技有限公司 2022-04-01 CN disclosed