SCHEMBL23399418

SCHEMBL23399418

Cc1ccc(-c2nn(-c3ccc(C)cc3)c(O)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
BRAF P15056 1/20 0.50
KDR P35968 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
TP53 P04637 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
PTGS2 P35354 1/20 0.43
ESR1 P03372 2/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL23399683 0.94 CCNA2 (0.49) SRCBRAFKDRSMN1; SMN2KMT2A
SCHEMBL23403434 0.94 CCNA2 (0.49) SRCBRAFKDRSMN1; SMN2KMT2A
SCHEMBL23401519 0.92 CCNA2 (0.50) SRCBRAFKDRSMN1; SMN2KMT2A
SCHEMBL23398623 0.92 MEN1 (0.48) SRCBRAFKDRSMN1; SMN2KMT2A
SCHEMBL23400965 0.90 CCNA2 (0.52) SRCBRAFKDRSMN1; SMN2KMT2A
SCHEMBL23400859 0.90 CCNA2 (0.52) SRCBRAFKDRSMN1; SMN2KMT2A
SCHEMBL23399026 0.88 CA1 (0.44) SRCBRAFKDRSMN1; SMN2KMT2A
SCHEMBL23401890 0.86 KMT2A (0.51) SRCBRAFKDRSMN1; SMN2KMT2A
SCHEMBL23401877 0.86 SMN1; SMN2 (0.47) SRCBRAFKDRSMN1; SMN2KMT2A
SCHEMBL23401031 0.86 MAPT (0.44) SRCBRAFKDRSMN1; SMN2KMT2A

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