SCHEMBL23399698

SCHEMBL23399698

CC(C)n1nc(O)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
P2RY6 Q15077 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
MPO P05164 2/20 0.36
MERTK Q12866 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.34
ESR1 P03372 1/20 0.33
CYP1A2 P05177 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
SCHEMBL23403364 0.92 HTR2A (0.43) HTR2AHTR2CHTR2BPDE1APDE1B
SCHEMBL23400997 0.92 HTR2A (0.43) HTR2AHTR2CHTR2BPDE1APDE1B
SCHEMBL23399716 0.87 TSHR (0.40) HTR2AHTR2CHTR2BPDE1APDE1B
SCHEMBL23400953 0.85 HTR2A (0.47) HTR2AHTR2CHTR2BKMT2ASMN1; SMN2
SCHEMBL23400196 0.85 MAPT (0.38) HTR2AHTR2CHTR2BP2RY6PDE1A
SCHEMBL23402403 0.83 PDE1A (0.42) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL23402435 0.83 HTR2A (0.46) HTR2AHTR2CHTR2BP2RY6PDE1A
SCHEMBL23399540 0.81 KDM4E (0.37) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL23400203 0.79 HTR2A (0.43) HTR2AHTR2CHTR2BP2RY6PDE1A
SCHEMBL23402711 0.77 MAPT (0.44) KMT2AMAPTPOLBTP53SMN1; SMN2

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