SCHEMBL19981254

SCHEMBL19981254

C[C@H](O)[C@H](NC(=O)N[C@@H](CCC(=O)O)c1nc(-c2cccc(F)c2)no1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 2/20 0.47
VSIR Q9H7M9 2/20 0.43
CD274 Q9NZQ7 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PTPN1 P18031 3/20 0.40
FOLH1 Q04609 3/20 0.39
FFAR1 O14842 1/20 0.38
IDH1 O75874 1/20 0.38
GRM5 P41594 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL19981275 0.90 DPP4 (0.47) KCNT1VSIRCD274LMNATSHR
SCHEMBL19981256 0.88 VSIR (0.44) VSIRCD274LMNATSHRFFAR1
SCHEMBL19867027 0.88 CD274 (0.58) KCNT1VSIRCD274LMNATSHR
SCHEMBL18077933 0.88 CD274 (0.58) KCNT1VSIRCD274LMNATSHR
SCHEMBL19867036 0.86 VSIR (0.43) VSIRCD274LMNATSHRFOLH1
SCHEMBL18077932 0.86 VSIR (0.43) VSIRCD274LMNATSHRFOLH1
SCHEMBL18077937 0.77 VSIR (0.45) KCNT1VSIRCD274LMNATSHR
SCHEMBL19866982 0.77 VSIR (0.45) KCNT1VSIRCD274LMNATSHR
SCHEMBL18077943 0.76 VSIR (0.48) VSIRCD274
SCHEMBL19867021 0.76 VSIR (0.48) VSIRCD274

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