SCHEMBL22842867

SCHEMBL22842867

CC(=O)c1c(C)ccc(Oc2cc(Cl)cc(N)c2F)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 2/20 0.36
▸ THRB P10828 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ SCN8A Q9UQD0 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RHEB Q15382 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL22842920 0.88 SCN8A (0.38) EPAS1KMT2ASCN8ASCN10AALDH1A1
SCHEMBL22842865 0.87 THRB (0.36) THRBCYP3A4KMT2ASCN8ASCN10A
SCHEMBL22842870 0.87 THRB (0.36) EPAS1THRBCYP3A4SCN8ASCN10A
SCHEMBL22842857 0.81 RPS6KA1 (0.35) THRBKMT2AMAPT
SCHEMBL22842860 0.80 EPAS1 (0.36) EPAS1THRBSCN8ASCN10AMAPK1
SCHEMBL22832147 0.79 GRM6 (0.36) EPAS1
SCHEMBL22842880 0.79 KCNA3 (0.36) THRBCYP3A4GAAMAPK1RXFP1
SCHEMBL22842859 0.78 SCN8A (0.36) EPAS1SCN8ASCN10AGAAMAPK1
SCHEMBL22842881 0.78 KCNA3 (0.35) EPAS1THRBKMT2ASCN8ASCN10A
SCHEMBL22842858 0.77 KCNA3 (0.36) THRBGAAMAPK1RXFP1MAPT

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-2020261156-A1 QUINAZOLIN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS ARRAY BIOPHARMA INC. (US) 2020-12-30 — — WO disclosed
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