SCHEMBL11469861

SCHEMBL11469861

COc1ccc2c(c1)c(-c1ccccc1)nc(=O)n2CC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 8/20 0.55
▸ GRIK2 Q13002 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL11158937 0.94 CASR (0.57) CASRGRIK2LMNATP53MAPT
SCHEMBL11160051 0.89 CASR (0.59) CASRGRIK2LMNATP53MAPT
SCHEMBL11164228 0.87 CASR (0.57) CASRGRIK2LMNATP53MAPT
SCHEMBL11462576 0.85 CASR (0.59) CASRGRIK2LMNATP53MAPT
SCHEMBL11460792 0.81 CASR (0.62) CASRGRIK2LMNATP53MAPT
SCHEMBL11468901 0.81 CASR (0.51) CASRLMNATP53MAPTPTGDR2
SCHEMBL11462815 0.79 NR1I2 (0.48) LMNATP53MAPTKDM4EALDH1A1
Ciproquazone SCHEMBL287449 0.78 CASR (0.58) CASRGRIK2LMNATP53MAPT
SCHEMBL11468011 0.77 MAPT (0.56) LMNATP53MAPTKDM4ENPSR1
SCHEMBL11167234 0.76 CASR (0.48) CASRGRIK2MAPTKDM4EALDH1A1

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
US-4202895-A 1-Polyhaloalkyl-2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-13 — — US disclosed
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