SCHEMBL23403147

SCHEMBL23403147

CCc1c(-c2ccccc2)nn(CC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CRHBP P24387 2/20 0.48
MAPK1 P28482 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
CRHR2 Q13324 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
ATM Q13315 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TLR9 Q9NR96 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL23402500 0.87 MEN1 (0.50) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23403598 0.87 KMT2A (0.46) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23399278 0.85 RAB9A (0.40) MEN1KMT2AMAPK1KDM4EUSP2
SCHEMBL23403288 0.84 CNR2 (0.38) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23400572 0.84 MEN1 (0.43) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23399507 0.84 MEN1 (0.52) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23400081 0.84 MEN1 (0.43) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23400338 0.81 MEN1 (0.49) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23401443 0.81 SMN1; SMN2 (0.51) MEN1KMT2AMAPK1CASP1CASP7
SCHEMBL23399004 0.81 SMN1; SMN2 (0.53) MEN1KMT2ACRHBPMAPK1CASP1

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