SCHEMBL23399451

SCHEMBL23399451

CCn1nc(C(C)(C)C)c(-c2ccccc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
RCE1 Q9Y256 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NR1H3 Q13133 3/20 0.38
NR1H2 P55055 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
TNNI3 P19429 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
TNNT2 P45379 1/20 0.36
CASP7 P55210 1/20 0.36
TNNC1 P63316 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL23403417 0.88 KDM4E (0.42) KDM4ERCE1SMN1; SMN2NR1H3MEN1
SCHEMBL23400409 0.86 HEXA (0.35) KDM4ESMN1; SMN2NR1H3NR1H2MAPK1
SCHEMBL23403065 0.85 NR1H3 (0.49) KDM4ENR1H3MEN1KMT2ACRHBP
SCHEMBL23399347 0.84 CNR2 (0.37) KDM4ERCE1SMN1; SMN2MEN1KMT2A
SCHEMBL23398717 0.79 HTR2A (0.44) KDM4ERCE1SMN1; SMN2NR1H3NR1H2
SCHEMBL23399004 0.79 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2MEN1KMT2AUSP2
SCHEMBL17290665 0.79 POLB (0.47) KDM4ESMN1; SMN2NR1H3NR1H2MEN1
SCHEMBL23401645 0.79 GAA (0.50) KDM4ESMN1; SMN2NR1H3NR1H2MEN1
SCHEMBL23403326 0.78 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2MEN1KMT2AATM
SCHEMBL23399319 0.78 DHFR (0.45) KDM4ERCE1SMN1; SMN2NR1H3NR1H2

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