SCHEMBL23401683

SCHEMBL23401683

CCCCc1c(-c2ccc(C)cc2)nn(-c2ccc(C)c(C)c2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
TP53 P04637 2/20 0.44
NFKB1 P19838 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
ESR1 P03372 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
THPO P40225 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
SCHEMBL23402097 0.94 KMT2A (0.51) LMNAKMT2ATSHRNPSR1CYP1A2
SCHEMBL23401928 0.90 CA1 (0.47) LMNAKMT2ATSHRNPSR1CYP1A2
SCHEMBL23398485 0.90 MAPT (0.53) LMNAKMT2ATSHRNPSR1CYP1A2
SCHEMBL23398982 0.89 KMT2A (0.41) LMNAKMT2ATSHRNPSR1CYP1A2
SCHEMBL23398568 0.87 CA1 (0.40) LMNAKMT2ATSHRNPSR1CYP1A2
SCHEMBL23398560 0.85 LMNA (0.41) LMNAKMT2ATSHRNPSR1CYP1A2
SCHEMBL23401837 0.84 CA1 (0.48) LMNAKMT2ATSHRNPSR1CYP1A2
SCHEMBL23402343 0.84 KMT2A (0.47) LMNAKMT2ATSHRNPSR1CYP1A2
SCHEMBL23398802 0.84 KMT2A (0.47) LMNAKMT2ATSHRNPSR1CYP1A2
SCHEMBL23399759 0.83 KMT2A (0.62) LMNAKMT2ATSHRNPSR1CYP1A2

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