SCHEMBL11468901

SCHEMBL11468901

COc1ccc2c(-c3ccccc3)nc(=O)n(CC(F)(F)F)c2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.51
▸ PTGER1 P34995 1/20 0.44
▸ PDE5A O76074 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL11160051 0.91 CASR (0.59) CASRTP53LMNAMAPTPTGDR2
SCHEMBL11459543 0.85 PDE3B (0.47) CASRTP53LMNAMAPT
SCHEMBL11479043 0.85 NR1I2 (0.59) PTGER1TP53NR1I2EGFRADRA2A
SCHEMBL11479018 0.82 RXFP1 (0.51) TP53NR1I2EGFRADRA2AADORA3
SCHEMBL11158937 0.82 CASR (0.57) CASRTP53LMNAMAPTPTGDR2
SCHEMBL11164228 0.82 CASR (0.57) CASRTP53LMNAMAPT
SCHEMBL11162361 0.81 LMNA (0.54) TP53LMNAMAPT
SCHEMBL11162244 0.81 CASR (0.50) CASRPTGER1PDE5ATP53NR1I2
SCHEMBL11469861 0.81 CASR (0.55) CASRTP53LMNAMAPTPTGDR2
SCHEMBL11462576 0.80 CASR (0.59) CASRTP53LMNAMAPT

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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