SCHEMBL23398459

SCHEMBL23398459

CCc1c(O)nn(-c2ccc(C)cc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
ESR1 P03372 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL23399622 0.94 CYP2C9 (0.44) LMNACYP2C9CYP2C19KDM4EMAPT
SCHEMBL23401053 0.93 MAPT (0.50) LMNACYP2C9CYP2C19KDM4EMAPT
SCHEMBL23401934 0.91 SMN1; SMN2 (0.49) LMNACYP2C9CYP2C19KDM4EMAPT
SCHEMBL23398709 0.89 CYP2C9 (0.54) LMNACYP2C9CYP2C19KDM4EMAPT
SCHEMBL23399236 0.88 L3MBTL1 (0.48) LMNACYP2C9CYP2C19KDM4EMAPT
SCHEMBL23403681 0.88 CYP2C9 (0.47) LMNACYP2C9CYP2C19KDM4EMAPT
SCHEMBL23400293 0.85 CYP2C9 (0.41) LMNACYP2C9CYP2C19KDM4EMAPT
SCHEMBL23401755 0.85 ALDH1A1 (0.48) LMNACYP2C9CYP2C19MAPTTP53
SCHEMBL23403668 0.85 RPA1 (0.47) LMNACYP2C9CYP2C19KDM4EMAPT
SCHEMBL23402150 0.85 RPA1 (0.48) CYP2C9CYP2C19MAPTTP53CYP1A2

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