SCHEMBL8070244

SCHEMBL8070244

COc1cc2nc(N3CCC(Nc4ccc(C(=O)O)cc4)CC3)nc(OC)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 12/20 0.52
EHMT1 Q9H9B1 5/20 0.51
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
WHR1 P49842 3/20 0.49

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
SCHEMBL8071911 0.89 ADRA1A (0.62) ADRA1AADRA1B
SCHEMBL8061075 0.88 EHMT2 (0.48) EHMT2EHMT1ADRA1AADRA1BWHR1
SCHEMBL8070283 0.85 CCR4 (0.56) EHMT2EHMT1WHR1
SCHEMBL8061122 0.83 HDAC1 (0.47) EHMT2EHMT1ADRA1AADRA1B
SCHEMBL8071856 0.82 MGLL (0.47) EHMT2EHMT1
SCHEMBL8077026 0.82 ADRA1A (0.60) ADRA1AADRA1B
SCHEMBL8076826 0.78 ADRA1A (0.56) ADRA1AADRA1B
SCHEMBL8071748 0.77 ADRA1A (0.60) ADRA1AADRA1B
SCHEMBL8070274 0.75 CCR4 (0.52) EHMT2EHMT1WHR1
SCHEMBL8071975 0.74 ADRA1A (0.56) ADRA1AADRA1B

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
US-6156758-A Antibacterial quinazoline compounds ISIS PHARMACEUTICALS, INC. (US) 2000-12-05 US disclosed