SCHEMBL23398384

SCHEMBL23398384

CCCCc1nn(-c2ccccc2)c(-c2ccc(C)cc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
USP2 O75604 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
ESR1 P03372 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 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
SCHEMBL23401412 0.95 MAPT (0.43) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL23401729 0.93 MAPT (0.46) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL23402407 0.92 MAPT (0.45) MAPTADORA3CYP2C9CYP2C19KMT2A
SCHEMBL23401465 0.92 CNR1 (0.47) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL23402947 0.89 MAPT (0.39) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL23399744 0.87 CYP2C9 (0.45) MAPTCYP2C9CYP2C19KMT2ACYP1A2
SCHEMBL23400898 0.87 ALDH1A1 (0.44) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL23403159 0.86 RPA1 (0.44) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL23402132 0.86 CNR1 (0.46) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL23401408 0.85 MAPT (0.51) MAPTPDE4APDE4BPDE4CPDE4D

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