SCHEMBL29628787

SCHEMBL29628787

COc1c(F)cc(C=O)c(F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MCL1 Q07820 1/20 0.37
PRKDC P78527 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
TRIM24 O15164 1/20 0.33
TYR P14679 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
SCHEMBL20607349 1.00 ERN1 (0.39) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31573662 0.84 PRKDC (0.43) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL23414419 0.83 ERN1 (0.40) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL27189181 0.82 ALDH1A1 (0.42) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4655024 0.82 ALDH1A1 (0.42) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31573667 0.80 TRPV4 (0.37) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL5759448 0.79 PRKDC (0.44) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL27189236 0.79 ERN1 (0.47) ERN1CA1CA2TRIM24TYR
SCHEMBL310426 0.79 ALDH1A1 (0.42) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31166894 0.79 ALDH1A1 (0.42) ERN1ALDH1A1KDM4ETSHRTDP1

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-108779076-B 5-methyl-6-phenyl-4, 5-dihydro-2H-pyridazin-3-one derivatives 大塚制药株式会社 2022-05-03 CN disclosed