SCHEMBL23401930

SCHEMBL23401930

CCn1nc(O)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
TNNI3 P19429 1/20 0.42
CRHBP P24387 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
TNNT2 P45379 1/20 0.42
CASP7 P55210 1/20 0.42
TNNC1 P63316 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CRHR2 Q13324 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL23401143 0.92 HTR2A (0.42) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL23400242 0.92 HTR2A (0.42) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL23399690 0.87 PTGIR (0.45) KDM4EMEN1CRHBPMAPK1CASP1
SCHEMBL23401234 0.87 NPC1 (0.44) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL23403589 0.85 MAPT (0.41) HTR2AHTR2CHTR2BKDM4ESMN1; SMN2
SCHEMBL23402566 0.85 TRPM8 (0.40) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL23402089 0.84 PTGIR (0.49) MEN1CRHBPKMT2ACRHR2PTGIR
SCHEMBL23402072 0.83 LMNA (0.43) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL23401075 0.83 HTR2A (0.47) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL23402406 0.81 HTR2A (0.46) HTR2AHTR2CHTR2BKDM4EMEN1

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