SCHEMBL23401414

SCHEMBL23401414

CCCc1nn(-c2ccc(C)cc2)c(-c2cccc(C)c2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 6/20 0.44
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
NFKB1 P19838 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL23401496 0.93 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23402648 0.93 TP53 (0.47) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23400037 0.91 ALDH1A1 (0.45) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23398415 0.90 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23399021 0.90 PDE4A (0.43) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23399744 0.88 CYP2C9 (0.45) KMT2ATP53MAPTNFKB1KDM4E
SCHEMBL23399838 0.88 MAPT (0.40) L3MBTL1KMT2ATP53MAPTTHRB
SCHEMBL23401408 0.87 MAPT (0.51) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23402132 0.85 CNR1 (0.46) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23401033 0.85 RPA1 (0.46) L3MBTL1KMT2AMEN1TP53MAPT

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