SCHEMBL23401437

SCHEMBL23401437

CCCn1nc(O)c(C)c1-c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
PTGS2 P35354 1/20 0.38
SLC9A1 P19634 1/20 0.37
CNR1 P21554 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
TLR8 Q9NR97 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CRHR2 Q13324 1/20 0.34
USP2 O75604 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 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
SCHEMBL23402865 0.91 NR1H3 (0.40) ESR1SLC9A1CNR1TRPM8TLR8
SCHEMBL23401618 0.88 TRPM8 (0.40) SLC9A1TRPM8POLBMAPTTSHR
SCHEMBL23398598 0.85 ESR1 (0.39) ESR1PTGS2SLC9A1CNR1TRPM8
SCHEMBL23402803 0.84 ESR1 (0.40) ESR1PTGS2SLC9A1CNR1TRPM8
SCHEMBL23403468 0.83 ESR1 (0.37) ESR1PTGS2SLC9A1CNR1TRPM8
SCHEMBL23400319 0.83 ESR1 (0.40) ESR1PTGS2SLC9A1TRPM8TLR8
SCHEMBL23401019 0.83 ESR1 (0.42) ESR1PTGS2SLC9A1CNR1TRPM8
SCHEMBL23403475 0.82 ESR1 (0.40) ESR1PTGS2SLC9A1CNR1TRPM8
SCHEMBL23401631 0.81 CNR1 (0.52) ESR1SLC9A1CNR1POLBMAPT
SCHEMBL23398455 0.79 TDP2 (0.39) TRPM8MAPTTSHRKMT2AALDH1A1

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