SCHEMBL19981240

SCHEMBL19981240

NC(=O)C[C@H](NC(=O)c1cccc(C(=O)O)c1)c1nc(-c2cc(F)ccc2F)no1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CTSA P10619 6/20 0.40
MAOA P21397 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DCAF1 Q9Y4B6 5/20 0.39
S1PR3 Q99500 3/20 0.38
S1PR1 P21453 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19981248 0.93 CTSA (0.47) LMNATSHRCTSAMAOABLVRB
SCHEMBL24218494 0.88 LMNA (0.45) LMNATSHRCTSAMAOABLVRB
SCHEMBL19981233 0.87 LMNA (0.44) LMNATSHRCTSAMAOABLVRB
SCHEMBL19981269 0.83 CTSA (0.45) LMNATSHRCTSAROCK2ROCK1
SCHEMBL19975480 0.79 DPP4 (0.40) CTSADCAF1S1PR3S1PR1
SCHEMBL19975478 0.79 DPP4 (0.40) CTSADCAF1S1PR3S1PR1
SCHEMBL18077936 0.78 CD274 (0.58) CTSAS1PR1
SCHEMBL19867093 0.78 CD274 (0.58) CTSAS1PR1
SCHEMBL18078210 0.78 VSIR (0.55) LMNATSHRDCAF1S1PR3S1PR1
SCHEMBL18078016 0.77 DPP4 (0.45) CTSAS1PR1

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