SCHEMBL23399341

SCHEMBL23399341

CCCCc1c(O)c(C)nn1-c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
OPRM1 P35372 1/20 0.36
HSP90AA1 P07900 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
APLNR P35414 1/20 0.34
PLK1 P53350 1/20 0.34
THRB P10828 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
SCHEMBL23398770 0.91 HTT (0.41) HTTKMT2AALDH1A1MAPTOPRM1
SCHEMBL23402135 0.87 ALDH1A1 (0.35) ALDH1A1MAPTHSP90AA1POLBL3MBTL1
SCHEMBL23401293 0.86 DHODH (0.37) HTTKMT2AALDH1A1MAPTHSP90AA1
SCHEMBL23400174 0.86 ALDH1A1 (0.35) HTTKMT2AALDH1A1MAPTHSP90AA1
SCHEMBL23401167 0.85 HTT (0.43) HTTKMT2AALDH1A1MAPTOPRM1
SCHEMBL23400640 0.84 POLB (0.37) ALDH1A1MAPTHSP90AA1POLBL3MBTL1
SCHEMBL23402771 0.83 ALDH1A1 (0.35) ALDH1A1MAPTHSP90AA1POLBL3MBTL1
SCHEMBL23401494 0.83 POLB (0.40) HTTKMT2AALDH1A1MAPTHSP90AA1
SCHEMBL23400811 0.83 POLB (0.38) HTTKMT2AALDH1A1MAPTHSP90AA1
SCHEMBL23398432 0.82 POLB (0.49) KMT2APOLBTSHRKDM4ELMNA

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