SCHEMBL16797802

SCHEMBL16797802

O=Cc1ccc(Cl)cc1OC(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 5/20 0.43
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
DRD1 P21728 3/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP11B1 P15538 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PTPN1 P18031 1/20 0.35
TSHR P16473 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
SCHEMBL30304192 1.00 TDP1 (0.50) TDP1ERN1ALDH1A1HPGDDRD1
SCHEMBL613846 0.86 ERN1 (0.47) TDP1ERN1ALDH1A1HPGDDRD1
SCHEMBL30480709 0.86 ERN1 (0.47) TDP1ERN1ALDH1A1HPGDDRD1
SCHEMBL11260550 0.80 ALDH1A1 (0.50) ALDH1A1HPGDDRD1MAPTKMT2A
SCHEMBL16793341 0.80 DRD1 (0.42) ERN1ALDH1A1HPGDDRD1KMT2A
SCHEMBL31662819 0.79 ERN1 (0.43) ERN1ALDH1A1HPGDDRD1MAPT
SCHEMBL17376694 0.79 ERN1 (0.43) TDP1ERN1ALDH1A1HPGDDRD1
SCHEMBL18157268 0.79 SMN1; SMN2 (0.42) ERN1ALDH1A1DRD1MAPTKMT2A
SCHEMBL21143488 0.77 TDP1 (0.57) TDP1ERN1ALDH1A1HPGDKMT2A
SCHEMBL29983926 0.76 KDM4E (0.40) ALDH1A1DRD1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 CN disclosed
EP-3080114-A1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
WO-2015086527-A1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed