SCHEMBL22069448

SCHEMBL22069448

CC(=O)c1ccc(Oc2ccc(Br)cc2)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
NR2F2 P24468 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.34
JUN P05412 1/20 0.34

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
SCHEMBL22653502 0.89 MAPK8 (0.39) MAPK8MAPK10THRBLMNAEGLN1
SCHEMBL22653503 0.88 MAPK8 (0.39) MAPK8MAPK10THRBLMNAEGLN1
SCHEMBL18529453 0.86 LIPE (0.44) MAOBMAOAMAPK10LMNAMEN1
SCHEMBL22653500 0.85 KDM4E (0.48) LMNAMEN1ALDH1A1KMT2AHTT
SCHEMBL21678317 0.84 HRH3 (0.38) LMNAEGLN1HPGDMEN1ALDH1A1
SCHEMBL22653507 0.83 LMNA (0.37) MAPK8MAPK10THRBLMNAEGLN1
SCHEMBL22653505 0.83 LMNA (0.37) MAPK8MAPK10THRBLMNAEGLN1
SCHEMBL20031599 0.80 SCN10A (0.42) LMNA
SCHEMBL21678309 0.79 LIPE (0.34) LMNAHTTMAPTLIPE
SCHEMBL19994252 0.76 LMNA (0.35) MAPK8MAPK10LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3738959-A1 PREPARATION OF 6-PHENOXY-2-(HALOALKYL)-3-ACYLPYRIDINES AND INTERMEDIATES THEREFOR Bayer AG (DE) 2020-11-18 EP disclosed
EP-3738959-A1 PREPARATION OF 6-PHENOXY-2-(HALOALKYL)-3-ACYLPYRIDINES AND INTERMEDIATES THEREFOR Bayer AG (DE) 2020-11-18 EP disclosed
WO-2020120284-A1 PREPARATION OF 6-HALO-2-(HALOALKYL)-3-ACYLPYRIDINES AND INTERMEDIATES THEREFOR BAYER AKTIENGESELLSCHAFT (DE) 2020-06-18 WO disclosed
EP-3666759-A1 PREPARATION OF 6-HALO-2-(HALOALKYL)-3-ACYLPYRIDINES AND INTERMEDIATES THEREFOR Bayer Aktiengesellschaft (DE) 2020-06-17 EP disclosed