SCHEMBL23403288

SCHEMBL23403288

CCc1c(-c2ccccc2)nn(CC(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CRHBP P24387 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
CRHR2 Q13324 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
ATM Q13315 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GCGR P47871 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
SCHEMBL23400238 0.89 KMT2A (0.40) CNR2MEN1KMT2ACRHBPMAPK1
SCHEMBL23401963 0.88 CNR2 (0.41) CNR2MEN1KMT2ACRHBPMAPK1
SCHEMBL23400146 0.87 RAB9A (0.36) MEN1KMT2AATMFYNSMN1; SMN2
SCHEMBL23399727 0.86 MEN1 (0.40) MEN1KMT2ACRHBPCRHR2GCGR
SCHEMBL23399288 0.85 MAPK14 (0.36) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL23403147 0.84 MEN1 (0.48) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23402853 0.82 SMN1; SMN2 (0.41) CNR2MEN1KMT2AFYNSMN1; SMN2
SCHEMBL23402500 0.82 MEN1 (0.50) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23401352 0.82 CNR2 (0.40) CNR2MEN1KMT2ACRHBPMAPK1
SCHEMBL23398823 0.81 RECQL (0.42) CNR2MEN1KMT2ACRHBPMAPK1

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