SCHEMBL23402180

SCHEMBL23402180

CC(C)c1c(-c2ccccc2)nn(-c2ccccc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RECQL P46063 2/20 0.44
ALDH1A1 P00352 3/20 0.44
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
GAA P10253 1/20 0.42
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL23400718 0.91 CCNA2 (0.46) MEN1KMT2AALDH1A1PTGS1GAA
SCHEMBL23403420 0.91 LMNA (0.44) MEN1KMT2ARECQLALDH1A1CCNA2
SCHEMBL23400532 0.87 NPC1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL23403482 0.87 RPA1 (0.48) MEN1KMT2ARECQLALDH1A1NPC1
SCHEMBL23401460 0.84 CA1 (0.49) MEN1KMT2ARECQLALDH1A1MAPK13
SCHEMBL23399456 0.83 PTGS2 (0.40) MEN1KMT2AALDH1A1PTGS2CCNA2
SCHEMBL23400577 0.82 DCTPP1 (0.39) MEN1KMT2AALDH1A1GAAMAPK13
SCHEMBL23402382 0.82 ALDH1A1 (0.45) MEN1KMT2ARECQLALDH1A1SMN1; SMN2
SCHEMBL22772158 0.81 L3MBTL1 (0.43) MEN1KMT2ARECQLALDH1A1GAA
SCHEMBL29850479 0.81 L3MBTL1 (0.43) MEN1KMT2ARECQLALDH1A1GAA

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