SCHEMBL19984829

SCHEMBL19984829

COc1ccccc1-c1nnc([C@H](CC(N)=O)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)o1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 4/20 0.41
THRB P10828 1/20 0.38
GUSB P08236 3/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL19984830 0.79 LMNA (0.67) LMNAPOLBKMT2AMEN1PKM
SCHEMBL19984807 0.76 TP53 (0.43) LMNAKMT2ATHRBTP53SMN1; SMN2
SCHEMBL19984792 0.72 KMT2A (0.41) LMNAKMT2AMEN1THRBGUSB
SCHEMBL19984803 0.71 KMT2A (0.41) LMNAKMT2AMEN1THRBGUSB
SCHEMBL19984794 0.70 KMT2A (0.41) LMNAKMT2ATHRBTP53SMN1; SMN2
SCHEMBL19984787 0.68 VDR (0.46) LMNAKMT2AMEN1THRBGUSB
SCHEMBL19984971 0.68 ADAMTS4 (0.45) LMNAKMT2AMEN1THRBGUSB
SCHEMBL19984798 0.68 CTSA (0.47) LMNAKMT2AMEN1THRBTP53
SCHEMBL19984856 0.67 CTSS (0.44) LMNAPOLBKMT2AMEN1THRB
SCHEMBL19984853 0.67 CTSS (0.44) LMNAPOLBKMT2AMEN1THRB

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