SCHEMBL23401293

SCHEMBL23401293

CCCCc1c(O)c(CC)nn1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
GCGR P47871 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSP90AA1 P07900 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA1 P30542 1/20 0.34
HSD11B1 P28845 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
APLNR P35414 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
SCHEMBL23402135 0.93 ALDH1A1 (0.35) DHODHALDH1A1HSP90AA1POLBL3MBTL1
SCHEMBL23400174 0.92 ALDH1A1 (0.35) DHODHHTTKMT2AALDH1A1HSP90AA1
SCHEMBL23400705 0.92 DHODH (0.38) DHODHHTTKMT2APDE4APDE4B
SCHEMBL23403073 0.89 DHODH (0.35) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL23402771 0.89 ALDH1A1 (0.35) DHODHALDH1A1HSP90AA1POLBL3MBTL1
SCHEMBL23403120 0.87 KDM4E (0.39) DHODHGCGRALDH1A1HSP90AA1POLB
SCHEMBL23400187 0.87 DHODH (0.40) DHODHHTTKMT2APDE4APDE4B
SCHEMBL23399341 0.86 HTT (0.40) HTTKMT2AALDH1A1HSP90AA1POLB
SCHEMBL23398794 0.85 ALDH1A1 (0.37) DHODHHTTKMT2APDE4APDE4B
SCHEMBL23400640 0.84 POLB (0.37) ALDH1A1HSP90AA1POLBL3MBTL1HSD11B1

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