SCHEMBL19981353

SCHEMBL19981353

NC(=O)C1(C(=O)NCc2nc(-c3cc(F)ccc3F)no2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL19975480 0.77 DPP4 (0.40) S1PR1S1PR3
SCHEMBL19975478 0.77 DPP4 (0.40) S1PR1S1PR3
SCHEMBL1703767 0.72 AKR1B1 (0.50) TSHRS1PR1S1PR3SMN1; SMN2CNR2
SCHEMBL19981314 0.71 ACLY (0.41) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL19981160 0.70 S1PR1 (0.42) MAPTLMNAHPGDTSHRS1PR1
SCHEMBL19981316 0.69 ALDH1A1 (0.45) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL775210 0.69 S1PR1 (0.43) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL1543797 0.69 S1PR1 (0.45) TSHRS1PR1S1PR3ALDH1A1SMN1; SMN2
SCHEMBL15194334 0.69 METAP2 (0.40) LMNA
SCHEMBL773983 0.69 AKR1B1 (0.47) MAPTLMNAMEN1KMT2AHPGD

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