SCHEMBL23400347

SCHEMBL23400347

CCCc1c(O)c(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.46
USP2 O75604 2/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GMNN O75496 1/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL23399517 0.92 KMT2A (0.45) KMT2AMEN1MAPTUSP2TP53
SCHEMBL23400599 0.92 KMT2A (0.45) KMT2AMEN1MAPTUSP2TP53
SCHEMBL23403103 0.91 CNR1 (0.47) KMT2AMEN1MAPTUSP2TP53
SCHEMBL23401380 0.88 RPA1 (0.46) KMT2AMEN1MAPTUSP2TP53
SCHEMBL23403223 0.88 PTGS2 (0.46) KMT2AMEN1MAPTUSP2TP53
SCHEMBL23398985 0.88 MEN1 (0.48) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL648265 0.85 KMT2A (0.47) KMT2AMEN1MAPTUSP2TP53
SCHEMBL23400248 0.84 KMT2A (0.43) KMT2AMEN1MAPTUSP2TP53
SCHEMBL23398994 0.84 MAPT (0.51) KMT2AMEN1MAPTUSP2TP53
SCHEMBL14586257 0.82 MEN1 (0.65) KMT2AMEN1LMNACYP1A2CYP2C9

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