SCHEMBL17845567

SCHEMBL17845567

NS(=O)(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CHEK2 O96017 5/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SCD O00767 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50

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
SCHEMBL5624626 0.81 PKM (0.56) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11627165 0.78 ALDH1A1 (0.49) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3391201 0.76 CA12 (0.53) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL12430872 0.76 ALDH1A1 (0.54) KDM4EMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL521212 0.76 MAPT (0.97) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL16134481 0.74 GAA (0.63) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL10694441 0.74 KDM4E (0.65) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11140138 0.74 KDM4E (0.47) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7617288 0.73 SMN1; SMN2 (0.74) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29382304 0.73 SMN1; SMN2 (0.74) KDM4EMAPTALDH1A1SMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233845-A1 PARG INHIBITORY COMPOUNDS Cancer Research Technology Limited (GB) 2017-10-25 EP disclosed
WO-2016097749-A1 PARG INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-23 WO disclosed