SCHEMBL19981345

SCHEMBL19981345

CC(O)[C@H](NSNCc1nc(-c2cc(F)ccc2F)no1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
CNR1 P21554 3/20 0.39
S1PR1 P21453 5/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GABRA5 P31644 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
AKR1B1 P15121 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL19867021 0.72 VSIR (0.48) S1PR1GABRA5
SCHEMBL18077943 0.72 VSIR (0.48) S1PR1GABRA5
SCHEMBL1703767 0.72 AKR1B1 (0.50) CNR2CNR1S1PR1GAAHTT
SCHEMBL19981160 0.71 S1PR1 (0.42) CNR2CNR1S1PR1MAPTLMNA
SCHEMBL18077932 0.70 VSIR (0.43) CNR2CNR1S1PR1LMNAGABRA5
SCHEMBL19867036 0.70 VSIR (0.43) CNR2CNR1S1PR1LMNAGABRA5
SCHEMBL18077936 0.70 CD274 (0.58) S1PR1GABRA5
SCHEMBL19867093 0.70 CD274 (0.58) S1PR1GABRA5
SCHEMBL19981314 0.70 ACLY (0.41) CNR2CNR1S1PR1MAPTLMNA
SCHEMBL773983 0.70 AKR1B1 (0.47) S1PR1MAPTLMNAMEN1KMT2A

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