SCHEMBL23399176

SCHEMBL23399176

CCCc1c(O)nn(-c2ccccc2)c1-c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
LMNA P02545 4/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 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
SCHEMBL23401973 0.93 USP2 (0.45) USP2LMNAKDM4ECYP1A2CYP2C9
SCHEMBL23400060 0.92 LMNA (0.43) USP2LMNAKDM4ECYP1A2CYP2C9
SCHEMBL23399201 0.89 LMNA (0.47) USP2LMNAKDM4ECYP1A2CYP2C9
SCHEMBL23402351 0.89 USP2 (0.39) USP2LMNAKDM4ECYP1A2CYP2C9
SCHEMBL23400372 0.88 CYP1A2 (0.41) USP2LMNAKDM4ECYP1A2CYP2C9
SCHEMBL23399483 0.86 USP2 (0.38) USP2LMNAKDM4ECYP1A2CYP2C9
SCHEMBL23401573 0.86 USP2 (0.38) USP2LMNAKDM4ECYP1A2CYP2C9
SCHEMBL23402927 0.83 USP2 (0.38) USP2LMNAKDM4ECYP1A2CYP2C9
SCHEMBL23398594 0.83 CYP2C9 (0.56) USP2LMNAKDM4ECYP1A2CYP2C9
SCHEMBL23403329 0.83 HIF1A (0.41) USP2LMNAKDM4ECYP1A2CYP2C9

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