SCHEMBL23403273

SCHEMBL23403273

CCn1nc(-c2ccccc2C)c(-c2ccccc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
TNNI3 P19429 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
TNNT2 P45379 1/20 0.40
CASP7 P55210 1/20 0.40
TNNC1 P63316 1/20 0.40
ATM Q13315 1/20 0.40
CRHR2 Q13324 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE4A P27815 4/20 0.39

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
SCHEMBL23399353 0.92 TP53 (0.40) SMN1; SMN2MEN1KMT2AL3MBTL1MAPK1
SCHEMBL23403292 0.89 ESR1 (0.48) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23399777 0.87 NR1H3 (0.46) MEN1KMT2ACRHBPCRHR2PDE4A
SCHEMBL23401193 0.85 ALDH1A1 (0.36) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23399004 0.85 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23402613 0.82 TRPM8 (0.38) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23398659 0.81 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23402116 0.81 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23398501 0.81 MAPT (0.41) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23402188 0.79 KDM5A (0.37) SMN1; SMN2KDM4EMEN1KMT2AL3MBTL1

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