SCHEMBL19984798

SCHEMBL19984798

COc1ccccc1-c1nnc([C@H](CC(=O)O)NS(=O)(=O)C2CC2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.47
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
STAT3 P40763 1/20 0.44
TP53 P04637 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
GLA P06280 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
SCHEMBL19984807 0.91 TP53 (0.43) CTSAKMT2ALMNAL3MBTL1STAT3
SCHEMBL19984799 0.91 KMT2A (0.43) CTSAKMT2ALMNAL3MBTL1STAT3
SCHEMBL19974309 0.87 LMNA (0.42) KMT2ALMNAL3MBTL1STAT3TP53
SCHEMBL19984845 0.83 ALDH1A1 (0.46) KMT2ALMNAL3MBTL1TP53SMN1; SMN2
SCHEMBL19984790 0.82 ALDH1A1 (0.41) KMT2ALMNAL3MBTL1STAT3TP53
SCHEMBL19984821 0.81 CTSA (0.46) CTSAKMT2ALMNAL3MBTL1TP53
SCHEMBL19984849 0.80 CTSA (0.43) CTSAKMT2ALMNAL3MBTL1STAT3
SCHEMBL19984791 0.78 ALDH1A1 (0.44) KMT2AL3MBTL1SMN1; SMN2HPGDALDH1A1
SCHEMBL19984981 0.77 CYP1A2 (0.40) LMNATP53SMN1; SMN2HPGDALDH1A1
SCHEMBL18078746 0.74 KMT2A (0.43) CTSAKMT2ASMN1; SMN2HPGDALDH1A1

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