SCHEMBL15775220

SCHEMBL15775220

Cc1cccc(C(N)=O)c1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS1 P23219 5/20 0.49
TRPV1 Q8NER1 3/20 0.47
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
P2RX1 P51575 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9525322 0.87 NPC1 (0.59) KDM4ENPC1RAB9AMEN1LMNA
SCHEMBL15775402 0.86 KDM4E (0.77) KDM4ENPC1RAB9AMEN1LMNA
SCHEMBL15775319 0.86 KDM4E (0.59) KDM4ENPC1RAB9AMEN1MAPT
SCHEMBL15775601 0.84 KDM4E (0.61) KDM4ELMNAKMT2A
SCHEMBL15775229 0.83 KDM4E (0.57) KDM4ENPC1RAB9AMEN1LMNA
SCHEMBL15775437 0.83 KDM4E (0.57) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL1381716 0.83 KDM4E (0.54) KDM4ENPC1RAB9AMEN1LMNA
SCHEMBL15775203 0.83 TAS1R3 (0.47) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13647658 0.82 GAA (0.60) KDM4ENPC1RAB9AMEN1LMNA
SCHEMBL1381718 0.81 ALDH1A1 (0.53) KDM4ENPC1RAB9AMEN1LMNA

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed