SCHEMBL23398456

SCHEMBL23398456

CC(C)Cn1nc(-c2ccccc2)c(O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CRHBP P24387 2/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
CRHR2 Q13324 2/20 0.40
PTGER1 P34995 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
USP2 O75604 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
SCHEMBL23401720 0.93 RAB9A (0.44) CNR2KMT2AMEN1KDM4EMAPK1
SCHEMBL23401771 0.93 RAB9A (0.44) CNR2KMT2AMEN1KDM4EMAPK1
SCHEMBL23399175 0.87 FABP4 (0.37) CNR2KMT2AMEN1KDM4ECRHBP
SCHEMBL23403368 0.87 LMNA (0.41) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL23402896 0.86 CNR2 (0.40) CNR2KMT2AMEN1USP2FYN
SCHEMBL23398995 0.86 RAB9A (0.39) KMT2AMEN1KDM4EMAPK1ATM
SCHEMBL23403471 0.84 FYN (0.40) CNR2KMT2AMEN1KDM4ECRHBP
SCHEMBL23400379 0.84 CNR2 (0.39) CNR2KMT2AMEN1KDM4ECRHBP
SCHEMBL23401439 0.84 ALDH1A1 (0.41) CNR2KDM4EL3MBTL1ALDH1A1TRPV1
SCHEMBL23400022 0.83 CASP1 (0.40) CNR2KMT2AMEN1KDM4ECRHBP

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