SCHEMBL19984787

SCHEMBL19984787

COC(=O)c1ccc(C(=O)N[C@@H](CC(N)=O)c2nnc(-c3ccccc3OC)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.46
ALOX15 P16050 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 4/20 0.44
ADAMTS4 O75173 2/20 0.43
ADAMTS5 Q9UNA0 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GUSB P08236 5/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
RXRA P19793 1/20 0.42

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
SCHEMBL19984971 0.92 ADAMTS4 (0.45) ALOX15KDM4ELMNATP53TDP1
SCHEMBL19984856 0.79 CTSS (0.44) KDM4ELMNAKMT2AMEN1HTT
SCHEMBL19984853 0.79 CTSS (0.44) KDM4ELMNAKMT2AMEN1HTT
SCHEMBL19984813 0.79 KMT2A (0.42) LMNAKMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL19984973 0.79 CYP3A4 (0.46)
SCHEMBL18078745 0.79 VSIR (0.48) LMNAKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL19866358 0.79 VSIR (0.48) LMNAKMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL19984804 0.78 GAA (0.45) KDM4ELMNAKMT2AMEN1SMN1; SMN2
SCHEMBL19984807 0.76 TP53 (0.43) ALOX15KDM4ELMNATP53TDP1
SCHEMBL19450458 0.76 CTSS (0.45) KDM4EKMT2AMEN1HTTSMN1; 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
WO-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed