SCHEMBL23399209

SCHEMBL23399209

CCn1nc(O)c(-c2ccccc2)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 4/20 0.37
RCE1 Q9Y256 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TNNI3 P19429 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
TNNT2 P45379 1/20 0.36
CASP7 P55210 1/20 0.36
TNNC1 P63316 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL23399848 0.88 ESR1 (0.39) GCGRKDM4ETDP1L3MBTL1MEN1
SCHEMBL23400109 0.86 CNR2 (0.39) GCGRSMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL23398497 0.86 GCGR (0.37) GCGRSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL23403384 0.85 NR1H3 (0.46) GCGRKDM4EMEN1CRHBPKMT2A
SCHEMBL23398655 0.79 SMN1; SMN2 (0.37) GCGRSMN1; SMN2KDM4ERCE1TDP1
SCHEMBL23401930 0.79 HTR2A (0.47) SMN1; SMN2KDM4ERCE1TDP1L3MBTL1
SCHEMBL23399830 0.79 MAPT (0.41) GCGRSMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL23402072 0.79 LMNA (0.43) SMN1; SMN2KDM4ERCE1TDP1L3MBTL1
SCHEMBL23400979 0.78 MEN1 (0.46) SMN1; SMN2KDM4ETDP1L3MBTL1MEN1
SCHEMBL23401106 0.78 SMN1; SMN2 (0.40) SMN1; SMN2KDM4ERCE1TDP1L3MBTL1

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