SCHEMBL19984976

SCHEMBL19984976

COc1ccccc1-c1nnc(CNC(=O)c2cccc(C(=O)O)c2)o1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 8/20 0.54
PPARD Q03181 1/20 0.52
PARP1 P09874 2/20 0.51
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.46
ROCK2 O75116 2/20 0.46
GRK2 P25098 1/20 0.46
MAPT P10636 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL19984789 0.84 APLNR (0.54) APLNRPARP1HPGDKMT2A
SCHEMBL19984985 0.83 ADAMTS4 (0.55) APLNRPARP1GAAHPGD
SCHEMBL19984846 0.79 PPARD (0.49) PPARDGAAHPGDKMT2AMAPK1
SCHEMBL12171886 0.78 PPARD (0.56) PPARDHPGDKMT2AMAPT
SCHEMBL16495669 0.77 WNT3A (0.46) APLNRKMT2AROCK2MAPTROCK1
SCHEMBL19984823 0.76 ADAMTS4 (0.55) PPARDHPGDKMT2AMAPK1MAPT
SCHEMBL2440740 0.76 HPGD (0.52) APLNRPPARDHPGDKMT2AMAPK1
SCHEMBL19984815 0.74 KMT2A (0.48) APLNRHPGDKMT2AMAPK1
SCHEMBL19984977 0.73 APLNR (0.44) APLNRPARP1HPGDKMT2AMAPK1
SCHEMBL15595972 0.73 SMN1; SMN2 (0.52) KMT2AMAPK1MAPT

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
WO-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed