SCHEMBL28720277

SCHEMBL28720277

O=[N+]([O-])c1cc(F)cc(N2CCC(F)(F)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
MAPT P10636 5/20 0.38
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SIRT6 Q8N6T7 2/20 0.36
ADRB1 P08588 1/20 0.36
ENPP2 Q13822 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
HTT P42858 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
SCHEMBL29141374 0.85 POLB (0.40) POLBMAPTCRBNALDH1A1LMNA
SCHEMBL2979600 0.84 MAPT (0.54) POLBMAPTALDH1A1MAPK1LMNA
SCHEMBL25712719 0.84 TSHR (0.49) POLBMAPTCRBNALDH1A1MAPK1
SCHEMBL20568475 0.81 ADRB1 (0.42) POLBMAPTLMNAKMT2AMEN1
SCHEMBL29141362 0.80 VCAM1 (0.53) POLBMAPTCRBNALDH1A1LMNA
SCHEMBL30668867 0.80 VCAM1 (0.53) POLBMAPTCRBNALDH1A1LMNA
SCHEMBL4717711 0.80 SIRT6 (0.59) POLBMAPTALDH1A1MAPK1LMNA
SCHEMBL1172041 0.80 POLB (0.51) POLBMAPTALDH1A1MAPK1KMT2A
Hydrochloric Acid SCHEMBL3258109 0.79 ADRB1 (0.58) POLBMAPTALDH1A1MAPK1LMNA
SCHEMBL20557324 0.79 MAPT (0.57) MAPTALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903589-A KIF18A inhibitor and application thereof 武汉人福创新药物研发中心有限公司 2023-10-20 CN disclosed
CN-114302880-A KIF18A inhibitors 美国安进公司 2022-04-08 CN disclosed