SCHEMBL23398646

SCHEMBL23398646

CCCc1nn(-c2ccc(OC)cc2)c(-c2ccccc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 2/20 0.46
RPA1 P27694 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL23398515 0.93 RPA1 (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23401335 0.90 RPA1 (0.47) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23403467 0.89 PDE4D (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23399575 0.88 CYP2C9 (0.46) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23399021 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23399744 0.86 CYP2C9 (0.45) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23400384 0.84 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23402262 0.84 RPA1 (0.44) KMT2AMEN1RPA1L3MBTL1LMNA
SCHEMBL23403416 0.82 MAPT (0.51) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL23399215 0.80 RAB9A (0.52) PDE4DCYP1A2CYP2C9CYP2C19RPA1

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