SCHEMBL23399288

SCHEMBL23399288

CCc1c(-c2cccc(C)c2)nn(CC(C)C)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SRC P12931 1/20 0.36
ICMT O60725 1/20 0.35
DPP4 P27487 1/20 0.34
RIPK2 O43353 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
NR1H2 P55055 2/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KCNT1 Q5JUK3 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HEXA P06865 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
SCHEMBL23399916 0.90 RIPK2 (0.36) MAPK14GABRA1GABRB2SRCICMT
SCHEMBL23400629 0.90 GABRA1 (0.36) GABRA1GABRB2SRCICMTDPP4
SCHEMBL23400362 0.89 TLR8 (0.38) GABRA1GABRB2SRCICMTRIPK2
SCHEMBL23400837 0.87 L3MBTL1 (0.39) MAPK14GABRA1GABRB2DPP4RIPK2
SCHEMBL23401201 0.85 GABRA1 (0.40) MAPK14GABRA1GABRB2SRCICMT
SCHEMBL23403288 0.85 CNR2 (0.38) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL23399331 0.84 ESR1 (0.42) MAPK14GABRA1GABRB2DPP4RIPK2
SCHEMBL23400146 0.84 RAB9A (0.36) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL23402342 0.83 NR1H2 (0.36) MAPK14GABRA1GABRB2SRCICMT
SCHEMBL23399042 0.83 SRC (0.48) MAPK14GABRA1GABRB2SRCDPP4

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