SCHEMBL23400705

SCHEMBL23400705

CCCc1c(O)c(CC)nn1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ALDH1A1 P00352 4/20 0.36
ADORA1 P30542 1/20 0.35
HSD11B1 P28845 1/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 3/20 0.34
APLNR P35414 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 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
SCHEMBL23398794 0.93 ALDH1A1 (0.37) DHODHHTTKMT2APDE4APDE4B
SCHEMBL23401293 0.92 DHODH (0.37) DHODHHTTKMT2APDE4APDE4B
SCHEMBL23400187 0.90 DHODH (0.40) DHODHHTTKMT2APDE4APDE4B
SCHEMBL23402771 0.89 ALDH1A1 (0.35) DHODHALDH1A1HSD11B1USP2MAPT
SCHEMBL23400072 0.89 ALDH1A1 (0.36) DHODHHTTKMT2APDE4APDE4B
SCHEMBL23403100 0.87 KDM4E (0.40) DHODHHTTKMT2AALDH1A1HSD11B1
SCHEMBL23400174 0.86 ALDH1A1 (0.35) DHODHHTTKMT2AALDH1A1HSD11B1
SCHEMBL23398770 0.85 HTT (0.41) HTTKMT2APDE4BALDH1A1HSD11B1
SCHEMBL23402135 0.84 ALDH1A1 (0.35) DHODHALDH1A1HSD11B1TSHRMAPT
SCHEMBL23401424 0.83 KDM4E (0.39) DHODHHTTKMT2APDE4APDE4B

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