SCHEMBL14521925

SCHEMBL14521925

COCCn1c(C)nc2cc(C(=O)N(C)C)cc(OCc3ccccc3CO)c21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.44
ADORA2A P29274 1/20 0.35
STING1 Q86WV6 1/20 0.35
TP53 P04637 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
CASP7 P55210 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
LMNA P02545 2/20 0.34
GALR3 O60755 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14521924 0.90 PTGER4 (0.42) PTGER4STING1ALDH1A1CYP1A2HTT
SCHEMBL1940860 0.88 BRD4 (0.45) PTGER4STING1USP2ALDH1A1CYP1A2
SCHEMBL14521394 0.84 PTGER4 (0.41) PTGER4ADORA2ASTING1TP53ALDH1A1
SCHEMBL14521393 0.83 PTGER4 (0.39) PTGER4STING1USP2ALDH1A1CYP1A2
SCHEMBL1940913 0.80 STING1 (0.40) PTGER4STING1USP2ALDH1A1CYP1A2
SCHEMBL1942913 0.78 GLP1R (0.45) PTGER4STING1USP2ALDH1A1CYP1A2
SCHEMBL14521330 0.78 STING1 (0.40) PTGER4ADORA2ASTING1ALDH1A1ALOX15
SCHEMBL14521332 0.77 MAPK14 (0.40)
SCHEMBL1943217 0.77 PTGER4 (0.44) PTGER4ADORA2ATP53USP2ALDH1A1
SCHEMBL1943031 0.76 LMNA (0.46) PTGER4STING1USP2ALDH1A1CYP1A2

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
WO-2007072142-A2 BENZIMIDAZOLE-5-CARBOXAMIDE DERIVATIVES PFIZER JAPAN INC. (JP) 2007-06-28 WO disclosed