SCHEMBL28098679

SCHEMBL28098679

COc1ccc(Cn2nc(C(=O)c3nn(Cc4ccc(OC)cc4)c4ncccc34)c3cccnc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.54
MAPT P10636 4/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PTGER4 P35408 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ALOX15 P16050 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
PPARG P37231 3/20 0.44
ENPP2 Q13822 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.43
AHR P35869 1/20 0.43

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
SCHEMBL10126774 0.92 PTGDR2 (0.53) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL13347985 0.91 PTGDR2 (0.54) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL9925002 0.91 PTGDR2 (0.52) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL16797233 0.90 MAPT (0.48) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL28007646 0.90 PTGDR2 (0.51) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL9925003 0.88 PTGDR2 (0.54) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL12311294 0.85 PTGDR2 (0.47) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL10126781 0.85 PTGDR2 (0.47) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL18205767 0.83 RORC (0.46) PTGDR2MAPTTHRBLMNAL3MBTL1
SCHEMBL10126761 0.83 PTGDR2 (0.48) PTGDR2MAPTTHRBLMNAL3MBTL1

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
CN-105980364-A Bicyclic heteroaryl indole analogs useful as ROR γ modulators 格兰马克药品股份有限公司 2016-09-28 CN disclosed