SCHEMBL11016288

SCHEMBL11016288

C1=CNC2=Nc3ccccc3C(c3ccccc3)=NC2=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
IDO1 P14902 1/20 0.41
MAPT P10636 8/20 0.38
LMNA P02545 5/20 0.38
GAA P10253 3/20 0.38
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
CCR6 P51684 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL2729711 0.79 CYP1A2 (0.37) MAPTLMNAPOLBHTTRECQL
SCHEMBL18977949 0.73 IDO1 (0.69) L3MBTL1IDO1MAPTLMNAGAA
SCHEMBL17321749 0.69 IDO1 (0.64) L3MBTL1IDO1MAPTLMNAGAA
SCHEMBL17321751 0.69 IDO1 (0.64) L3MBTL1IDO1MAPTLMNAGAA
SCHEMBL17321590 0.67 IDO1 (0.56) L3MBTL1IDO1MAPTLMNAGAA
SCHEMBL30816757 0.65 IDO1 (0.69) L3MBTL1IDO1MAPTLMNAGAA
SCHEMBL30816758 0.65 IDO1 (0.69) L3MBTL1IDO1MAPTLMNAGAA
SCHEMBL17321659 0.64 IDO1 (0.51) L3MBTL1IDO1MAPTLMNAGAA
SCHEMBL17321750 0.63 IDO1 (0.55) L3MBTL1IDO1MAPTLMNAGAA
SCHEMBL17321756 0.62 IDO1 (0.53) L3MBTL1IDO1MAPTLMNAGAA

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
EP-0157656-A2 Process and intermediates for the preparation of aryl substituded pyrido [1,4] benzodiazepines A.H. ROBINS COMPANY, INCORPORATED (US) 1985-10-09 EP disclosed