SCHEMBL23977663

SCHEMBL23977663

C[C@@H](I)NCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
PRMT8 Q9NR22 1/20 0.52
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
NPC1 O15118 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DPP7 Q9UHL4 1/20 0.35
SIGMAR1 Q99720 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL20333397 0.86 HRH3 (0.46) CARM1PRMT6PRMT8CA12CA1
SCHEMBL4569287 0.84 CARM1 (0.58) CARM1PRMT6PRMT8CA12CA1
SCHEMBL5226705 0.82 CARM1 (0.56) CARM1PRMT6PRMT8CA12CA1
SCHEMBL2156090 0.82 CARM1 (0.56) CARM1PRMT6PRMT8CA12CA1
SCHEMBL13787914 0.79 CARM1 (0.52) CARM1PRMT6PRMT8CA12CA1
SCHEMBL9090552 0.78 CARM1 (0.52) CARM1PRMT6PRMT8CA12CA1
SCHEMBL18782445 0.77 CARM1 (0.50) CARM1PRMT6PRMT8CA12CA1
SCHEMBL10574951 0.77 CARM1 (0.50) CARM1PRMT6PRMT8CA12CA1
SCHEMBL25736046 0.77 CARM1 (0.48) CARM1PRMT6PRMT8CA12CA1
SCHEMBL20332945 0.75 CARM1 (0.48) CARM1PRMT6PRMT8CA12CA1

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
WO-2021219091-A2 QUINOXALINONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN 北京泰德制药股份有限公司 (CN) 2021-11-04 WO disclosed