SCHEMBL11734288

SCHEMBL11734288

CC(C)n1c(=O)nc(-c2ccc(Cl)cc2)c2ccc(CO)cc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.54
EGFR P00533 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
TBXA2R P21731 1/20 0.54
PTGS2 P35354 1/20 0.54
OPRD1 P41143 1/20 0.54
PDE4D Q08499 1/20 0.54
CASR P41180 19/20 0.51

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
SCHEMBL11726950 0.88 NR1I2 (0.54) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL11730879 0.88 NR1I2 (0.70) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL11723933 0.83 NR1I2 (0.77) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL11725275 0.82 NR1I2 (0.55) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL11725572 0.79 CASR (0.56) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL11724593 0.76 NR1I2 (0.70) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL11565990 0.75 NR1I2 (0.85) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL11601877 0.72 CASR (0.67) NR1I2EGFRADRA2AADORA3TBXA2R
Fluproquazone SCHEMBL29363976 0.71 NR1I2 (0.77) NR1I2EGFRADRA2AADORA3TBXA2R
Fluproquazone SCHEMBL26210 0.71 NR1I2 (0.77) NR1I2EGFRADRA2AADORA3TBXA2R

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-4064246-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1977-12-20 US disclosed