SCHEMBL23398994

SCHEMBL23398994

CCCc1c(O)c(-c2ccc(C)cc2)nn1-c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
KMT2A Q03164 5/20 0.51
ESR1 P03372 4/20 0.51
CYP3A4 P08684 4/20 0.51
LMNA P02545 4/20 0.51
KDM4E B2RXH2 4/20 0.51
TP53 P04637 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 3/20 0.51
TSHR P16473 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP2C19 P33261 2/20 0.51
MAPK1 P28482 2/20 0.51
USP2 O75604 2/20 0.51
ALOX15 P16050 2/20 0.51
GMNN O75496 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX12 P18054 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51

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
SCHEMBL23400599 0.93 KMT2A (0.45) MAPTKMT2AESR1CYP3A4LMNA
SCHEMBL23399517 0.93 KMT2A (0.45) MAPTKMT2AESR1CYP3A4LMNA
SCHEMBL23398913 0.92 MAPT (0.46) MAPTKMT2AESR1CYP3A4LMNA
SCHEMBL23400495 0.91 TP53 (0.45) MAPTKMT2AESR1CYP3A4LMNA
SCHEMBL23402827 0.88 KMT2A (0.43) MAPTKMT2AESR1CYP3A4LMNA
SCHEMBL23402025 0.87 KDM4E (0.40) MAPTKMT2AESR1CYP3A4LMNA
SCHEMBL23400843 0.85 ADORA3 (0.41) MAPTKMT2AESR1CYP3A4LMNA
SCHEMBL23400248 0.85 KMT2A (0.43) MAPTKMT2AESR1CYP3A4LMNA
SCHEMBL23400347 0.84 KMT2A (0.49) MAPTKMT2AESR1CYP3A4LMNA
SCHEMBL23403648 0.83 ALDH1A1 (0.40) MAPTKMT2AESR1CYP3A4LMNA

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