SCHEMBL6615428

SCHEMBL6615428

Clc1ccc(Oc2ccc(C3CCCCC3)cn2)c(C2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.51
PTGDR Q13258 5/20 0.50
PTGER2 P43116 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
SCN9A Q15858 3/20 0.36
HTR1A P08908 1/20 0.36
GCGR P47871 1/20 0.35
PSMB5 P28074 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
SCHEMBL6615423 0.83 PTGDR2 (0.47) PTGDR2PTGDRPTGER2L3MBTL1SLC6A2
SCHEMBL5884573 0.79 PTGDR2 (0.49) PTGDR2PTGDRPTGER2SLC6A2SLC6A4
SCHEMBL22453733 0.73 LMNA (0.39) PTGDR2PTGDRL3MBTL1KDM4EHTT
SCHEMBL3545617 0.73 PTGDR2 (0.51) PTGDR2PTGDRPTGER2KDM4EHTT
SCHEMBL14640344 0.71 PTGDR2 (0.62) PTGDR2PTGDRPTGER2L3MBTL1KMT2A
SCHEMBL11174850 0.70 PTGDR2 (0.54) PTGDR2PTGDRPTGER2KDM4EKMT2A
SCHEMBL11479776 0.70 PTGDR2 (0.68) PTGDR2PTGDRPTGER2SLC6A2SLC6A4
SCHEMBL5182802 0.70 KDM4E (0.50) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL11174525 0.69 PTGDR2 (0.53) PTGDR2PTGDRPTGER2KDM4EKMT2A
SCHEMBL16475192 0.68 PDGFRB (0.47) L3MBTL1KDM4EGLAHTTKMT2A

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
EP-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO disclosed