SCHEMBL30032253

SCHEMBL30032253

O=c1[nH]c2c(Br)cc(C(F)(F)F)cc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 5/20 0.40
▸ HSP90AA1 P07900 2/20 0.36
▸ CYP11B1 P15538 4/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ NPEPPS P55786 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KCNMA1 Q12791 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL30033577 0.88 CYP11B1 (0.39) HSP90AA1CYP11B1CYP11B2NPEPPSMEN1
SCHEMBL30032801 0.88 BCAT2 (0.39) HSP90AA1CYP11B1CYP11B2NPEPPSMEN1
SCHEMBL30032960 0.84 HSP90AA1 (0.36) HSP90AA1CYP11B1CYP11B2MEN1CYP1A2
SCHEMBL30032902 0.82 HSP90AA1 (0.48) DDR1HSP90AA1NPEPPSMEN1CYP1A2
SCHEMBL30033454 0.82 MALT1 (0.44) MEN1MAPTTSHRKMT2AMALT1
SCHEMBL30033336 0.81 GRIN1 (0.39) HSP90AA1MALT1
SCHEMBL27192117 0.79 CYP11B1 (0.37) CYP11B1CYP11B2NPEPPS
SCHEMBL27191807 0.76 PDE7A (0.39) CYP11B1CYP11B2NPEPPS
SCHEMBL30034350 0.76 NPEPPS (0.42) DDR1HSP90AA1NPEPPSMEN1CYP1A2
SCHEMBL30033636 0.75 CYP11B1 (0.40) CYP11B1CYP11B2NPEPPSERN1

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
WO-2022224223-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2022-10-27 — — WO disclosed
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