SCHEMBL23399770

SCHEMBL23399770

CCn1nc(O)c(CC(C)C)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TNNI3 P19429 1/20 0.38
CRHBP P24387 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
TNNT2 P45379 1/20 0.38
CASP7 P55210 1/20 0.38
TNNC1 P63316 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL23399468 0.89 MEN1 (0.40) KDM4EMEN1CRHBPMAPK1CASP1
SCHEMBL23401915 0.88 CNR2 (0.38) L3MBTL1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL23401893 0.87 MAPT (0.37) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL23402011 0.86 NR1H3 (0.44) MEN1CRHBPKMT2ACRHR2NR1H3
SCHEMBL23401902 0.85 NPC1 (0.41) HTR2CL3MBTL1KDM4EMEN1MAPK1
SCHEMBL23402406 0.84 HTR2A (0.46) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL23403690 0.82 RECQL (0.40) CA1CA2MEN1MAPK1CASP1
SCHEMBL23399001 0.82 HTR2A (0.43) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL23399946 0.82 TRPM8 (0.36) USP2KMT2ASMN1; SMN2BCL2MCL1
SCHEMBL23401057 0.81 HTR2A (0.42) HTR2AHTR2CHTR2BL3MBTL1KMT2A

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed