SCHEMBL28098667

SCHEMBL28098667

COc1ccc(Cn2nc(CO)c3cccnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 5/20 0.50
THRB P10828 2/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
BUB1 O43683 1/20 0.41
GAA P10253 1/20 0.41
ENPP2 Q13822 1/20 0.41
TP53 P04637 2/20 0.41
PDE1B Q01064 1/20 0.40
PTGER4 P35408 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL10126658 0.83 PTGDR2 (0.50) L3MBTL1MAPTTHRBPTGDR2CNR1
SCHEMBL4666470 0.83 MAPT (0.54) L3MBTL1MAPTTHRBPTGDR2CNR1
SCHEMBL19798298 0.83 L3MBTL1 (0.52) L3MBTL1MAPTTHRBPTGDR2CNR1
SCHEMBL28098679 0.82 PTGDR2 (0.54) L3MBTL1MAPTTHRBPTGDR2CNR1
SCHEMBL10126750 0.82 PTGDR2 (0.47) L3MBTL1MAPTTHRBPTGDR2LMNA
SCHEMBL10126759 0.82 PTGDR2 (0.49) L3MBTL1MAPTTHRBPTGDR2CNR1
SCHEMBL10126774 0.81 PTGDR2 (0.53) L3MBTL1MAPTTHRBPTGDR2CNR1
SCHEMBL13347985 0.81 PTGDR2 (0.54) L3MBTL1MAPTTHRBPTGDR2CNR1
SCHEMBL9925002 0.81 PTGDR2 (0.52) L3MBTL1MAPTTHRBPTGDR2CNR1
SCHEMBL927918 0.80 CNR1 (0.64) MAPTCNR1CNR2LMNAKDM4E

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