SCHEMBL29153252

SCHEMBL29153252

COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cnc2c(F)c(Cl)ncc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.36
GPR119 Q8TDV5 7/20 0.35
MET P08581 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
TNF P01375 2/20 0.35
LITAF Q99732 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
USP30 Q70CQ3 2/20 0.34
POLB P06746 1/20 0.34
KAT8 Q9H7Z6 2/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL28648177 0.87 KCNH2 (0.37) PRKCQGPR119METMMP1MMP3
SCHEMBL21099594 0.87 KCNH2 (0.37) PRKCQGPR119METMMP1MMP3
SCHEMBL21137338 0.86 KCNH2 (0.38) PRKCQGPR119METMMP1MMP3
SCHEMBL21099343 0.86 KCNH2 (0.38) PRKCQGPR119METMMP1MMP3
SCHEMBL21099325 0.85 KCNH2 (0.37) PRKCQGPR119METMMP1MMP3
SCHEMBL30672184 0.82 NR1H2 (0.34) GPR119KAT8KAT5
SCHEMBL21099342 0.82 MET (0.38) PRKCQGPR119METMMP1MMP3
SCHEMBL21099404 0.82 KRAS (0.41) PRKCQMETTNFLITAFMAPT
SCHEMBL21050822 0.80 MET (0.39) PRKCQGPR119METMMP1MMP3
SCHEMBL21100021 0.80 MET (0.39) PRKCQGPR119METMMP1MMP3

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-117222654-A KRAS G12C inhibitors and uses thereof 苏州赞荣医药科技有限公司 2023-12-12 CN disclosed