SCHEMBL29575271

SCHEMBL29575271

O=c1cc(C(F)(F)F)n(-c2cc(S)ccc2F)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 4/20 0.36
BCAT2 O15382 3/20 0.36
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
AR P10275 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL8087404 0.82 KDM4E (0.36) BCAT1BCAT2MEN1MAPTKMT2A
SCHEMBL8578733 0.80 AR (0.34) BCAT1BCAT2MEN1MAPTKMT2A
SCHEMBL8086309 0.78 ESR1 (0.41) BCAT1BCAT2MEN1MAPTKMT2A
SCHEMBL7537781 0.76 BCAT2 (0.45) BCAT1BCAT2MEN1MAPTKMT2A
SCHEMBL31442417 0.72 HCAR1 (0.40) BCAT1BCAT2MEN1MAPTKMT2A
SCHEMBL8129531 0.71 HCAR1 (0.38) MEN1MAPTKMT2AKDM4ETHRB
SCHEMBL7833292 0.70 NOTUM (0.48) MEN1MAPTKMT2AHSD17B10TSHR
SCHEMBL8144284 0.68 LMNA (0.45) MAPTPOLBNPSR1CYP3A4TSHR
SCHEMBL8381096 0.67 ALDH1A1 (0.36) BCAT1BCAT2MEN1MAPTKMT2A
SCHEMBL7015287 0.66 BCAT1 (0.41) BCAT1BCAT2MEN1MAPTKMT2A

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
EP-4003975-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2022-06-01 EP disclosed