SCHEMBL3395758

SCHEMBL3395758

COc1cc(-c2cc(CBr)n(C(=O)O)n2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.41
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
PHGDH O43175 1/20 0.38
KDM1A O60341 1/20 0.37
ALKBH1 Q13686 1/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
AVPR1B P47901 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TNF P01375 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CCR6 P51684 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
SCHEMBL13426417 0.85 CACNA1H (0.39) GRK6PDE4APDE4BPDE4CPDE4D
SCHEMBL3395630 0.79 HDAC6 (0.44) MAPTMEN1ALDH1A1KMT2A
SCHEMBL13425946 0.71 IDO1 (0.35)
SCHEMBL3396698 0.71 GABRA1 (0.44) PHGDHMAPK1MEN1ALDH1A1RAB9A
SCHEMBL3394902 0.71 GSK3B (0.39) PHGDHCASP1
SCHEMBL13425447 0.71 SMPD3 (0.40) GRK6PHGDHKDM1AGAASMN1; SMN2
SCHEMBL14982263 0.71 PKM (0.46) GRK6PDE4APDE4BPDE4CPDE4D
SCHEMBL13425931 0.70 KMO (0.38) MAPTNPSR1GPR55CASP1
SCHEMBL14982289 0.70 PDE4A (0.53) GRK6PDE4APDE4BPDE4CPDE4D
SCHEMBL14982211 0.69 PKM (0.47) GRK6PDE4APDE4BPDE4CPDE4D

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed