SCHEMBL13628865

SCHEMBL13628865

COOSc1cnc2c(c1)cc(-c1nnco1)n2Cc1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.33
F2RL3 Q96RI0 1/20 0.31
ADORA2A P29274 1/20 0.31
CXCR3 P49682 1/20 0.31
P2RX7 Q99572 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL13628861 0.88 RAB9A (0.38) RAB9ANPC1P2RX7
SCHEMBL2927904 0.80 PTGS2 (0.37) RAB9ANPC1ADORA2ACXCR3GAA
SCHEMBL13628824 0.73 RAB9A (0.36) RAB9ANPC1P2RX7
SCHEMBL13628819 0.70 CNR1 (0.43) RAB9AADORA2AGAA
SCHEMBL13628825 0.69 CYP1A2 (0.37)
SCHEMBL13628838 0.69 CYP1A2 (0.36) ADORA2A
SCHEMBL13628864 0.69 CYP1A2 (0.39)
SCHEMBL2922100 0.67 CNR2 (0.42) RAB9ANPC1
SCHEMBL2921187 0.58 PTGS2 (0.44)
SCHEMBL9159203 0.58 KDM4E (0.51) GAA

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