SCHEMBL23399229

SCHEMBL23399229

Cc1ccccc1-n1nc(C)c(O)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
WNT3A P56704 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GSK3B P49841 2/20 0.34
LMNA P02545 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL23402859 0.86 MAPK14 (0.40) HTTKMT2AMAPK14MAPK13MAPK12
SCHEMBL23401602 0.83 MAPK14 (0.40) HTTKMT2AMAPK14MAPK13MAPK12
SCHEMBL23402639 0.82 ALDH1A1 (0.45) HTTKMT2AMAPK14MAPK13MAPK12
SCHEMBL23398423 0.82 MAPK14 (0.41) HTTKMT2AMAPK14MAPK13MAPK12
SCHEMBL23399634 0.81 HTT (0.43) HTTKMT2AMAPK14MAPK13MAPK12
SCHEMBL23401338 0.81 MAPK14 (0.41) HTTKMT2AMAPK14MAPK13MAPK12
SCHEMBL23399715 0.80 SMN1; SMN2 (0.46) HTTALDH1A1MAPTHPGDKDM4E
SCHEMBL23398434 0.80 MAPK14 (0.37) HTTKMT2AMAPK14MAPK13MAPK12
SCHEMBL23399629 0.80 KMT2A (0.47) HTTKMT2AMAPK14ALDH1A1MAPT
SCHEMBL23398702 0.77 ALDH1A1 (0.49) HTTKMT2AMAPK14MAPK13MAPK12

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