SCHEMBL12378692

SCHEMBL12378692

CC(=O)c1c2c(c(O)c3ncc(Cc4ccc(C)cc4)cc13)C(=O)N(C)C2

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KIT P10721 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL12378352 0.91 CSNK1D (0.33) BCL2L1LIPG
SCHEMBL12378698 0.91 KIT (0.30) KIT
SCHEMBL12378712 0.90 LIPG (0.34) BCL2L1LIPGALDH1A1NPC1LMNA
SCHEMBL12378702 0.90 TACR1 (0.33) BCL2L1LIPG
SCHEMBL12378696 0.90
SCHEMBL12378695 0.88
SCHEMBL12378714 0.88 LIPG (0.35) LIPGALDH1A1NPC1LMNAMAPT
SCHEMBL12378717 0.88 PREP (0.33) LIPGALDH1A1KITNPC1MAPT
SCHEMBL12378723 0.87 MEN1 (0.35) ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL12378703 0.87 LIPG (0.36) LIPGALDH1A1NPC1LMNAMAPT

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