SCHEMBL23401249

SCHEMBL23401249

Cc1ccc(-c2c(-c3cccc(C)c3)nn(CC(C)C)c2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ICMT O60725 1/20 0.37
NR1H2 P55055 3/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
SRC P12931 1/20 0.35
RIPK2 O43353 1/20 0.34
IDO1 P14902 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
MAPK14 Q16539 1/20 0.33
RAB9A P51151 1/20 0.33
FYN P06241 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL23399593 0.94 ALDH1A1 (0.39) KMT2AMEN1L3MBTL1ICMTGABRA1
SCHEMBL23403196 0.88 RAB9A (0.43) KMT2AMEN1NR1H2NPSR1RAB9A
SCHEMBL23399567 0.88 RAB9A (0.43) KMT2AMEN1NR1H2NPSR1RAB9A
SCHEMBL23402121 0.88 RAB9A (0.38) KMT2AMEN1SRCNPSR1RAB9A
SCHEMBL23399866 0.86 MEN1 (0.40) KMT2AMEN1L3MBTL1RIPK2IDO1
SCHEMBL23401201 0.84 GABRA1 (0.40) KMT2AMEN1ICMTNR1H2GABRA1
SCHEMBL23399298 0.84 ESR1 (0.43) KMT2AMEN1L3MBTL1ICMTRIPK2
SCHEMBL23402342 0.82 NR1H2 (0.36) KMT2AMEN1ICMTNR1H2GABRA1
SCHEMBL23403476 0.82 SRC (0.48) KMT2AMEN1L3MBTL1GABRA1GABRB2
SCHEMBL23402853 0.81 SMN1; SMN2 (0.41) KMT2AMEN1NPSR1TRPV1FYN

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