SCHEMBL22653501

SCHEMBL22653501

CCc1cc(Oc2ccc(Br)cc2)nc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
MCL1 Q07820 3/20 0.38
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
ATM Q13315 2/20 0.36
BLM P54132 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G10 O15496 1/20 0.35
THRB P10828 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
SLC6A4 P31645 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MEN1 O00255 1/20 0.33
SLC26A4 O43511 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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 0.75 MAPK8 (0.39) HPGDMCL1MAPK8MAPK10POLB
SCHEMBL10556645 0.73 MAPT (0.41) HPGDPOLBL3MBTL1SMN1; SMN2MEN1
SCHEMBL22069448 0.72 MAOB (0.40) HPGDMCL1MAPK8MAPK10THRB
SCHEMBL6734372 0.71 PPARA (0.32) POLBL3MBTL1MEN1KMT2AKDM4E
SCHEMBL22653500 0.71 KDM4E (0.48) POLBL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL22653503 0.69 MAPK8 (0.39) HPGDMCL1MAPK8MAPK10THRB
SCHEMBL22089886 0.68 THRB (0.38) HPGDMAPK8MAPK10POLBL3MBTL1
SCHEMBL22653507 0.68 LMNA (0.37) HPGDMCL1MAPK8MAPK10L3MBTL1
SCHEMBL22685080 0.67 THRB (0.35) HPGDMAPK8MAPK10ATMBLM
SCHEMBL22653505 0.65 LMNA (0.37) HPGDMAPK8MAPK10THRBEGLN1

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-3738959-A1 PREPARATION OF 6-PHENOXY-2-(HALOALKYL)-3-ACYLPYRIDINES AND INTERMEDIATES THEREFOR Bayer AG (DE) 2020-11-18 EP disclosed