SCHEMBL29778147

SCHEMBL29778147

O=c1[nH]c2ccc(F)cc2nc1C(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
DAO P14920 2/20 0.45
DDO Q99489 1/20 0.45
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TYMS P04818 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
BRD4 O60885 3/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL29778097 0.83 MAPT (0.50) KDM4EDAODDOALDH1A1HPGD
SCHEMBL29778146 0.80 CYP11B2 (0.44) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL28778241 0.79 CYP1A2 (0.36) KDM4EALDH1A1HPGDTYMSMAPT
SCHEMBL29778152 0.79 CYP1A2 (0.36) KDM4EALDH1A1HPGDTYMSMAPT
SCHEMBL24289840 0.78 KDM4E (0.62) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL14765152 0.77 BRD4 (0.53) KDM4EDAOTYMSBRD4
SCHEMBL9949706 0.76 ALDH1A1 (0.59) KDM4EDAOALDH1A1HPGDPDE3B
SCHEMBL29778151 0.75 GRIN2D (0.54) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL29778110 0.75 CYP1A2 (0.53) KDM4EPDE3BPDE3AMAPTMEN1
SCHEMBL29037515 0.75 GRIN2D (0.54) KDM4EALDH1A1HPGDMAPTMEN1

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-114685384-B Difluoromethyl reaction method and application thereof 深圳大学 2023-07-14 CN disclosed
CN-114685384-A Difluoromethyl reaction method and application thereof 深圳大学 2022-07-01 CN disclosed