SCHEMBL2455233

SCHEMBL2455233

O=c1c(Cc2ccc(C(F)(F)F)c(F)c2)c(C2=CC=C2)[nH]c2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
MBOAT4 Q96T53 5/20 0.36
P2RX7 Q99572 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL2457055 0.92 AR (0.35) MBOAT4P2RX7LMNAPKM
SCHEMBL2456947 0.89 DAO (0.33) DAOLMNAPKM
SCHEMBL2456758 0.87 KDM4A (0.38) MBOAT4P2RX7
SCHEMBL2454918 0.86 PDE1B (0.34) LMNAPKM
SCHEMBL2454685 0.84 DAO (0.36) DAOP2RX7LMNAPKM
SCHEMBL2455163 0.83 ENPP1 (0.43) DAOLMNAPKM
SCHEMBL2457421 0.81 ALKBH3 (0.36) DAO
SCHEMBL2455230 0.79 PDE2A (0.38) DAOMBOAT4
SCHEMBL2460223 0.79 ENPP1 (0.43) DAO
SCHEMBL2460016 0.79 CCR2 (0.36)

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 2 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