SCHEMBL19981256

SCHEMBL19981256

C[C@H](O)[C@H](NC(=O)N[C@@H](CCC(=O)O)c1nc(-c2ccc(F)c(F)c2)no1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.44
CD274 Q9NZQ7 1/20 0.44
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
IDH1 O75874 4/20 0.39
HDAC4 P56524 8/20 0.39
HDAC6 Q9UBN7 6/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
CSGALNACT1 Q8TDX6 1/20 0.38
MMP12 P39900 1/20 0.38
FFAR1 O14842 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
SCHEMBL19981254 0.88 KCNT1 (0.47) VSIRCD274LMNATSHRIDH1
SCHEMBL18077932 0.86 VSIR (0.43) VSIRCD274LMNATSHRHDAC6
SCHEMBL19867036 0.86 VSIR (0.43) VSIRCD274LMNATSHRHDAC6
SCHEMBL19981275 0.85 DPP4 (0.47) VSIRCD274LMNATSHRIDH1
SCHEMBL19866982 0.78 VSIR (0.45) VSIRCD274LMNATSHR
SCHEMBL18077937 0.78 VSIR (0.45) VSIRCD274LMNATSHR
SCHEMBL19867021 0.77 VSIR (0.48) VSIRCD274S1PR1
SCHEMBL18077943 0.77 VSIR (0.48) VSIRCD274S1PR1
SCHEMBL18077933 0.76 CD274 (0.58) VSIRCD274LMNATSHRIDH1
SCHEMBL19867027 0.76 CD274 (0.58) VSIRCD274LMNATSHRIDH1

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