SCHEMBL19981135

SCHEMBL19981135

NC(=O)C[C@H](NS(=O)(=O)C1CC1)c1nc(-c2ccc(-c3ccccc3)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 4/20 0.45
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTPS1 P17812 1/20 0.39
KCNT1 Q5JUK3 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL19981145 0.79 BMP1 (0.49) BMP1DPP4DPP7CTPS1TDP1
SCHEMBL18078143 0.75 VSIR (0.52) BMP1
SCHEMBL22677564 0.74 VSIR (0.43) BMP1
SCHEMBL19867031 0.72 VSIR (0.63) LMNATSHRDPP4DPP7TDP1
SCHEMBL19450457 0.72 VSIR (0.63) LMNATSHRDPP4DPP7TDP1
SCHEMBL18077945 0.72 VSIR (0.63) LMNATSHRDPP4DPP7TDP1
SCHEMBL19981138 0.71 BMP1 (0.49) BMP1DPP4DPP7CTPS1TDP1
SCHEMBL18078168 0.71 VSIR (0.49) BMP1
SCHEMBL5420455 0.67 NPC1 (0.45) LMNATSHRHCAR2DPP4DPP7
SCHEMBL19984807 0.67 TP53 (0.43) LMNATSHRTDP1

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-2018051254-A1 CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed