SCHEMBL23401019

SCHEMBL23401019

CCCn1nc(O)c(-c2ccccc2)c1-c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CRHR2 Q13324 1/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL23403463 0.92 ESR1 (0.41) ESR1MAPTTSHRMEN1KMT2A
SCHEMBL23400856 0.92 NR1H3 (0.46) MAPTTSHRMEN1KMT2ACRHBP
SCHEMBL23402566 0.89 TRPM8 (0.40) ESR1MAPTTSHRMEN1KMT2A
SCHEMBL23399690 0.86 PTGIR (0.45) ESR1MAPTTSHRMEN1KMT2A
SCHEMBL23401437 0.83 ESR1 (0.40) ESR1MAPTTSHRMEN1KMT2A
SCHEMBL23401196 0.83 ALDH1A1 (0.36) MAPTTSHRMEN1KMT2ACNR1
SCHEMBL23401779 0.82 CNR1 (0.42) ESR1MAPTTSHRMEN1KMT2A
SCHEMBL23398644 0.82 CNR1 (0.42) ESR1MAPTTSHRMEN1KMT2A
SCHEMBL23400023 0.81 MAPT (0.41) MAPTTSHRMEN1KMT2AMAPK1
SCHEMBL23401700 0.81 ESR1 (0.51) ESR1MAPTTSHRMEN1KMT2A

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