SCHEMBL23401167

SCHEMBL23401167

CCc1c(O)c(C)nn1-c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
OPRM1 P35372 1/20 0.39
TSHR P16473 1/20 0.37
PLK1 P53350 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
WNT3A P56704 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL23398770 0.88 HTT (0.41) HTTKMT2AALDH1A1MAPTOPRM1
SCHEMBL23400187 0.86 DHODH (0.40) HTTKMT2AALDH1A1MAPTTSHR
SCHEMBL23399341 0.85 HTT (0.40) HTTKMT2AALDH1A1MAPTOPRM1
SCHEMBL23402691 0.83 ALDH1A1 (0.41) HTTKMT2AALDH1A1MAPTOPRM1
SCHEMBL23402808 0.82 FABP4 (0.46) KMT2AALDH1A1MAPTTSHRMAPK13
SCHEMBL23400385 0.82 MAPK14 (0.41) HTTKMT2AALDH1A1MAPTTSHR
SCHEMBL23400072 0.82 ALDH1A1 (0.36) HTTKMT2AALDH1A1MAPTTSHR
SCHEMBL23403663 0.81 ALDH1A1 (0.39) HTTKMT2AALDH1A1MAPTTSHR
SCHEMBL23400415 0.80 POLB (0.50) HTTKMT2AALDH1A1MAPTTSHR
SCHEMBL23399629 0.80 KMT2A (0.47) HTTKMT2AALDH1A1MAPTOPRM1

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