SCHEMBL23398709

SCHEMBL23398709

CCCc1c(O)nn(-c2ccc(C)cc2)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.54
CYP2C19 P33261 4/20 0.54
CYP1A2 P05177 3/20 0.54
KDM4E B2RXH2 3/20 0.54
USP2 O75604 2/20 0.54
CYP3A4 P08684 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 2/20 0.54
ESR1 P03372 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL23400731 0.95 MAPT (0.54) CYP2C9CYP2C19CYP1A2KDM4EUSP2
SCHEMBL23403681 0.93 CYP2C9 (0.47) CYP2C9CYP2C19CYP1A2KDM4EUSP2
SCHEMBL23403164 0.93 KMT2A (0.62) CYP2C9CYP2C19CYP1A2KDM4EUSP2
SCHEMBL23398594 0.92 CYP2C9 (0.56) CYP2C9CYP2C19CYP1A2KDM4EUSP2
SCHEMBL23398459 0.89 LMNA (0.44) CYP2C9CYP2C19CYP1A2KDM4EUSP2
SCHEMBL23399334 0.88 TP53 (0.48) CYP2C9CYP2C19CYP1A2KDM4EUSP2
SCHEMBL23402988 0.88 MAPT (0.47) CYP2C9CYP2C19CYP1A2KDM4EUSP2
SCHEMBL23400090 0.86 CYP2C19 (0.47) CYP2C9CYP2C19CYP1A2KDM4EUSP2
SCHEMBL23403416 0.86 MAPT (0.51) CYP2C9CYP2C19CYP1A2KDM4EUSP2
SCHEMBL23402678 0.86 RPA1 (0.46) CYP2C9CYP2C19CYP1A2KDM4EUSP2

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