SCHEMBL19981269

SCHEMBL19981269

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 15/20 0.45
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SUCNR1 Q9BXA5 2/20 0.39
KMT2A Q03164 1/20 0.39

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 0.90 CTSA (0.47) CTSALMNATSHRSUCNR1KMT2A
SCHEMBL19981240 0.83 LMNA (0.40) CTSAROCK2ROCK1LMNATSHR
SCHEMBL24218494 0.81 LMNA (0.45) CTSAROCK2ROCK1LMNATSHR
SCHEMBL19981233 0.81 LMNA (0.44) CTSAROCK2ROCK1LMNATSHR
SCHEMBL19981130 0.78 CTSA (0.41) CTSALMNATSHR
SCHEMBL18077943 0.75 VSIR (0.48) CTSA
SCHEMBL19867021 0.75 VSIR (0.48) CTSA
SCHEMBL19981137 0.70 S1PR1 (0.38) CTSALMNATSHR
SCHEMBL19975478 0.69 DPP4 (0.40) CTSA
SCHEMBL19975480 0.69 DPP4 (0.40) CTSA

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