SCHEMBL27296115

SCHEMBL27296115

COC(=O)c1ccc(C(F)(F)F)cc1-c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.55
NR4A2 P43354 1/20 0.46
MAPT P10636 10/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TNFRSF1A P19438 1/20 0.42
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 1/20 0.42
TRPA1 O75762 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL27297726 0.83 KDM4E (0.50) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL21088415 0.82 SLC6A4 (0.49) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL1610957 0.81 KMT2A (0.55) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL27825552 0.81 DNMT1 (0.53) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL23354519 0.80 CFTR (0.63) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12320666 0.80 KMT2A (0.53) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL11271816 0.78 KMT2A (0.48) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL4945678 0.78 CFTR (0.60) CFTRMAPTKMT2AMEN1KDM4E
SCHEMBL18952913 0.77 KMT2A (0.54) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL4249807 0.77 KMT2A (0.53) CFTRNR4A2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039081-C New herbicides RHONE POULENC AGRICULTURE (GB) 1998-07-15 CN disclosed
CN-1037436-C New herbicides RHONE POULENC AGRICULTURE (GB) 1998-02-18 CN disclosed
CN-1082539-A New herbicides RHONE POULENC AGRICULTURE (GB) 1994-02-23 CN disclosed