SCHEMBL2455141

SCHEMBL2455141

O=c1c(Cc2ccc(Cl)c(C(F)(F)F)c2)c(CCO)[nH]c2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
PLA2G7 Q13093 1/20 0.37
MBOAT4 Q96T53 4/20 0.36
P2RX7 Q99572 3/20 0.36
SCD O00767 1/20 0.36
NOTUM Q6P988 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
PDE2A O00408 1/20 0.35
KCNN4 O15554 2/20 0.34
MAOB P27338 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL2456189 0.89 NR3C2 (0.37) MBOAT4P2RX7PDE2A
SCHEMBL2453480 0.88 MBOAT4 (0.39) KDM4AKDM5AKDM5BPLA2G7MBOAT4
SCHEMBL2465551 0.88 MBOAT4 (0.40) KDM4AKDM5AKDM5BPLA2G7MBOAT4
SCHEMBL2464506 0.84 MBOAT4 (0.40) KDM4AKDM5AKDM5BPLA2G7MBOAT4
SCHEMBL12324705 0.83 KDM4A (0.36) KDM4AKDM5AKDM5BP2RX7SCD
SCHEMBL2456758 0.81 KDM4A (0.38) KDM4AKDM5AKDM5BPLA2G7MBOAT4
SCHEMBL2456756 0.79 PDE2A (0.46) KDM4AKDM5AKDM5BPLA2G7MBOAT4
SCHEMBL2541935 0.77 MBOAT4 (0.37) MBOAT4P2RX7SCDPDE2A
SCHEMBL2466816 0.75 ALKBH3 (0.39) MAOB
SCHEMBL12324393 0.72 NR3C2 (0.36) MBOAT4P2RX7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO claimed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed