SCHEMBL19984789

SCHEMBL19984789

COC(=O)c1ccc(C(=O)NCc2nnc(-c3ccccc3OC)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 6/20 0.54
VDR P11473 1/20 0.51
ALOX15 P16050 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 3/20 0.49
PARP1 P09874 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GUSB P08236 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC1 Q13547 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
SCHEMBL19984976 0.84 APLNR (0.54) APLNRKMT2APARP1HPGD
SCHEMBL16495669 0.78 WNT3A (0.46) APLNRALOX15KMT2AMEN1GUSB
SCHEMBL19984815 0.77 KMT2A (0.48) APLNRLMNATP53KMT2AHPGD
SCHEMBL19984977 0.75 APLNR (0.44) APLNRKMT2APARP1HPGDSMN1; SMN2
SCHEMBL19984985 0.74 ADAMTS4 (0.55) APLNRPARP1HPGDHDAC1
SCHEMBL19984787 0.74 VDR (0.46) VDRALOX15KDM4ELMNATP53
SCHEMBL2437020 0.74 CTSS (0.48) APLNRVDRALOX15KDM4ELMNA
SCHEMBL2440740 0.74 HPGD (0.52) APLNRALOX15KDM4ELMNATP53
SCHEMBL15595972 0.73 SMN1; SMN2 (0.52) KDM4ELMNAKMT2APOLBHTT
SCHEMBL18276868 0.72 APLNR (0.72) APLNR

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