SCHEMBL5652166

SCHEMBL5652166

N#Cc1cccc(C(=O)OC(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
TYMS P04818 1/20 0.46
VNN1 O95497 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR139 Q6DWJ6 1/20 0.44
S1PR3 Q99500 1/20 0.44
F2 P00734 2/20 0.44
LMNA P02545 2/20 0.44
PRSS1 P07477 2/20 0.44
KAT6A Q92794 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
ACR P10323 1/20 0.44
GRM5 P41594 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
KLKB1 P03952 1/20 0.43

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
SCHEMBL5652160 0.95 GSK3B (0.59) GSK3BTYMSVNN1PRSS1IRAK4
SCHEMBL7656344 0.90 F2 (0.59) GSK3BTYMSVNN1TDP1GPR139
SCHEMBL7650287 0.84 GSK3B (0.59) GSK3BTYMSVNN1F2LMNA
SCHEMBL8394217 0.83 PRSS1 (0.54) GSK3BTYMSTDP1PRSS1ACR
SCHEMBL19203281 0.82 GSK3B (0.54) GSK3BTYMSVNN1GPR139GRM5
SCHEMBL545343 0.81 LMNA (0.58) TDP1F2LMNATSHR
SCHEMBL60040 0.81 MRGPRX4 (0.56) GSK3BGPR139GRM5TSHRPLAU
SCHEMBL6972463 0.81 GSK3B (0.56) GSK3BTYMSVNN1PRSS1IRAK4
SCHEMBL17460156 0.81 GSK3B (0.56) GSK3BTYMSVNN1S1PR3PRSS1
SCHEMBL30444713 0.81 MRGPRX4 (0.56) GSK3BGPR139GRM5TSHRPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
US-4167407-A 1-Thiadiazolyl-5-acylimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1979-09-11 US disclosed
US-4018787-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-04-19 US disclosed