SCHEMBL13628844

SCHEMBL13628844

CNC(=O)c1ccc(-c2cc3cc(SOOC)ccc3n2Cc2ccc(F)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.37
POLB P06746 2/20 0.37
ACSS2 Q9NR19 2/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.36
NLRP3 Q96P20 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
PPARG P37231 1/20 0.34
PTGS2 P35354 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL13628841 0.91 TP53 (0.43) TP53POLBMAPTLMNAPTGS2
SCHEMBL13628843 0.91 AGTR1 (0.40) TP53POLBPTGS2TBXA2R
SCHEMBL13628856 0.88 CNR2 (0.40) TP53POLBLMNABAZ2B
SCHEMBL2921311 0.82 PTGS2 (0.50) ACSS2BAZ2BPPARGPTGS2TBXA2R
SCHEMBL2922490 0.75 PTGS2 (0.54) TP53POLBMAPTLMNAPTGS2
SCHEMBL13628857 0.75 CCR2 (0.40) TP53LMNAPTGS2TBXA2R
SCHEMBL13628859 0.74 PTGS2 (0.45) TP53POLBPTGS2TBXA2R
SCHEMBL13628853 0.74 PTGS2 (0.37) MAPTLMNAPTGS2TBXA2R
SCHEMBL2924408 0.73 CNR2 (0.42) BAZ2BPTGS2
SCHEMBL13628847 0.73 CYP11B2 (0.43) MAPTPTGS2

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-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed