SCHEMBL23399334

SCHEMBL23399334

CCCc1c(O)nn(-c2ccc(C)cc2)c1-c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
NFKB1 P19838 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
ESR1 P03372 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL23401823 0.94 L3MBTL1 (0.45) TP53KMT2AMAPTNFKB1KDM4E
SCHEMBL23400469 0.93 ALDH1A1 (0.46) TP53KMT2AMAPTNFKB1KDM4E
SCHEMBL23400557 0.91 ALDH1A1 (0.45) TP53KMT2AMAPTNFKB1KDM4E
SCHEMBL23399236 0.90 L3MBTL1 (0.48) TP53KMT2AMAPTNFKB1KDM4E
SCHEMBL23402307 0.90 MAPT (0.44) TP53KMT2AMAPTNFKB1KDM4E
SCHEMBL23398709 0.88 CYP2C9 (0.54) TP53KMT2AMAPTNFKB1KDM4E
SCHEMBL23398778 0.88 LMNA (0.48) TP53KMT2AMAPTNFKB1KDM4E
SCHEMBL23403164 0.87 KMT2A (0.62) TP53KMT2AMAPTNFKB1KDM4E
SCHEMBL23402383 0.86 CNR1 (0.47) TP53KMT2AMAPTNFKB1KDM4E
SCHEMBL23401738 0.85 ALDH1A1 (0.44) TP53KMT2AMAPTNFKB1KDM4E

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