SCHEMBL12378719

SCHEMBL12378719

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.38
CNR1 P21554 2/20 0.35
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 2/20 0.31
RAB9A P51151 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
MAPK8 P45983 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
SCHEMBL12378423 0.93 CNR2 (0.46) CNR2CNR1KMT2ASYKLIPG
SCHEMBL12378712 0.89 LIPG (0.34) KMT2ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12378709 0.85 PREP (0.34) KMT2ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12378692 0.85 BCL2L1 (0.31) NPC1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL13623963 0.83 EGLN1 (0.37) CNR2KMT2AL3MBTL1LIPGANO1
SCHEMBL12378702 0.83 TACR1 (0.33) LIPG
SCHEMBL12378698 0.82 KIT (0.30)
SCHEMBL12378700 0.81 KIT (0.30)
SCHEMBL4377607 0.81 CNR2 (0.38) CNR2CNR1KMT2ALMNALIPG
SCHEMBL12378717 0.81 PREP (0.33) KMT2ANPC1MAPTSMN1; SMN2ALDH1A1

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