SCHEMBL13628856

SCHEMBL13628856

CNC(=O)c1ccc(-c2cc3cc(SOOC)cnc3n2Cc2ccc(F)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.40
CNR1 P21554 9/20 0.38
TP53 P04637 4/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35

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
SCHEMBL13628844 0.88 TP53 (0.37) TP53LMNAPOLBBAZ2B
SCHEMBL2924408 0.82 CNR2 (0.42) CNR2CNR1BAZ2B
SCHEMBL13628831 0.80 MCL1 (0.39) TP53LMNA
SCHEMBL13628841 0.79 TP53 (0.43) TP53LMNAPOLB
SCHEMBL13628825 0.79 CYP1A2 (0.37) CNR2CNR1TP53LMNAPOLB
SCHEMBL13628843 0.78 AGTR1 (0.40) TP53POLB
SCHEMBL13628838 0.74 CYP1A2 (0.36) CNR2CNR1TP53LMNA
SCHEMBL13628822 0.74 CYP1A2 (0.37) CNR2CNR1LMNA
SCHEMBL13628864 0.74 CYP1A2 (0.39) CNR2CNR1LMNA
SCHEMBL13628819 0.74 CNR1 (0.43) CNR2CNR1LMNAPOLB

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