SCHEMBL29874044

SCHEMBL29874044

O=C=Nc1ccc(OC(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40
ADAM17 P78536 1/20 0.40
ALDH1A1 P00352 7/20 0.39
DRD1 P21728 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 4/20 0.37
PKM P14618 3/20 0.37
HTT P42858 3/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CCR6 P51684 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL21239547 1.00 ALOX15 (0.40) ALOX15GFERADAM17ALDH1A1DRD1
SCHEMBL25220639 0.85 ALOX15 (0.38) ALOX15GFERADAM17ALDH1A1DRD1
SCHEMBL9714369 0.83 CETP (0.35) ALDH1A1HPGDCYP3A4TDP1MAPT
SCHEMBL9826232 0.82 CYP3A4 (0.41) ALOX15GFERADAM17ALDH1A1DRD1
SCHEMBL4056724 0.79 CYP3A4 (0.50) ALDH1A1MEN1KMT2AHPGDCYP3A4
SCHEMBL9489490 0.79 ALDH1A1 (0.44) ALOX15ALDH1A1MEN1KMT2AHPGD
SCHEMBL10591868 0.79 LMNA (0.39) ALDH1A1LMNAHPGDCYP3A4TDP1
SCHEMBL10592920 0.77 ALDH1A1 (0.33) ALDH1A1HPGDCYP3A4TDP1
SCHEMBL10589873 0.77 PDE2A (0.33) ALDH1A1HPGDCYP3A4TDP1
SCHEMBL10590570 0.76 ALDH1A1 (0.34) ALDH1A1HPGDCYP3A4TDP1

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
CN-109843283-B Urea derivatives 第一三共株式会社 2022-08-30 CN disclosed