SCHEMBL12378702

SCHEMBL12378702

Cc1ccc(Cc2cnc3c(O)c4c(c(C(=O)N(C)C)c3c2)CN(C)C4=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.33
KDM5A P29375 1/20 0.30
HSP90AA1 P07900 1/20 0.30
BCL2L1 Q07817 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL12378380 0.92 TACR1 (0.33) TACR1HSP90AA1LIPG
SCHEMBL12378713 0.90 TACR1 (0.32) TACR1
SCHEMBL12378692 0.90 BCL2L1 (0.31) BCL2L1LIPG
SCHEMBL12378710 0.88 MKNK1 (0.32) TACR1LIPG
SCHEMBL12378712 0.88 LIPG (0.34) KDM5ABCL2L1LIPG
SCHEMBL12378698 0.87 KIT (0.30)
SCHEMBL12378711 0.86 TACR1 (0.38) TACR1
SCHEMBL12378714 0.85 LIPG (0.35) LIPG
SCHEMBL12378731 0.85 MET (0.34)
SCHEMBL12378717 0.85 PREP (0.33) HSP90AA1LIPG

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-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed