SCHEMBL22288985

SCHEMBL22288985

NNC(=O)c1cnc(Br)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BLM P54132 2/20 0.43
NSD2 O96028 1/20 0.43
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
ALPI P09923 1/20 0.43
GAA P10253 1/20 0.43
ALPG P10696 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
CASP6 P55212 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
OGG1 O15527 1/20 0.43
HDAC6 Q9UBN7 9/20 0.41
HDAC1 Q13547 7/20 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
SCHEMBL26124336 0.79 KDM4E (0.45) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL22304671 0.79 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHTTHDAC6
SCHEMBL487554 0.78 HCAR2 (0.47) KDM4EALDH1A1LMNAPOLBHTT
SCHEMBL31259721 0.77 KDM4E (0.54) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL31259712 0.77 KDM4E (0.54) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL29779593 0.76 MAPK1 (0.46) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL19689562 0.76 MAPK1 (0.46) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL27026775 0.76 KDM4E (0.55) KDM4EALDH1A1LMNAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL27007918 0.74 KDM4E (0.53) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL18339782 0.72 SMN1; SMN2 (0.38) KDM4EALDH1A1POLBHTTHDAC6

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
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed