SCHEMBL23401458

SCHEMBL23401458

CCn1nc(-c2ccccc2)c(O)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
USP2 O75604 2/20 0.49
CRHBP P24387 2/20 0.49
MAPK1 P28482 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
CRHR2 Q13324 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
ATM Q13315 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
TLR9 Q9NR96 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47

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
SCHEMBL23402004 0.87 MEN1 (0.51) KMT2AMEN1USP2CRHBPMAPK1
SCHEMBL23401011 0.86 RAB9A (0.41) KMT2AMEN1KDM4ESMN1; SMN2LMNA
SCHEMBL11862067 0.84 CA1 (0.56) KMT2AMEN1USP2CRHBPMAPK1
SCHEMBL23403222 0.84 MEN1 (0.53) KMT2AMEN1CRHBPMAPK1CASP1
SCHEMBL23400818 0.83 KDM4E (0.51) KMT2AMEN1KDM4EPDE4APDE4B
SCHEMBL23402896 0.82 CNR2 (0.40) KMT2AMEN1USP2SMN1; SMN2ALOX15
SCHEMBL23399460 0.81 KMT2A (0.48) KMT2AMEN1USP2CRHBPMAPK1
SCHEMBL23399569 0.81 CA1 (0.50) KMT2AMEN1USP2CRHBPMAPK1
SCHEMBL23399116 0.81 CA1 (0.50) KMT2AMEN1USP2CRHBPMAPK1
SCHEMBL23400338 0.79 MEN1 (0.49) KMT2AMEN1USP2CRHBPMAPK1

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