SCHEMBL7526498

SCHEMBL7526498

Cn1cc(CC(N)=O)c2ccc(-n3ccnc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 1/20 0.40
ADH5 P11766 4/20 0.39
TBXAS1 P24557 2/20 0.38
LMNA P02545 1/20 0.38
ENPP2 Q13822 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
ICMT O60725 1/20 0.37
IDO1 P14902 1/20 0.37
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL7592572 0.86 HTT (0.46) CYP3A4BAZ2BPRMT5WDR77MAPT
SCHEMBL7593302 0.76 CYP3A4 (0.44) CYP3A4BAZ2BMAPTHTTADH5
SCHEMBL7528351 0.76 MAPT (0.46) MAPTHTTLMNAICMTMEN1
SCHEMBL7593340 0.73 MAPT (0.46) CYP3A4BAZ2BMAPTHTTLMNA
SCHEMBL20536593 0.70 ADH5 (0.49) CYP3A4BAZ2BMAPTHTTADH5
SCHEMBL30772970 0.70 ADH5 (0.49) CYP3A4BAZ2BMAPTHTTADH5
SCHEMBL30958421 0.70 ICMT (0.62) MAPTLMNAICMTKDM4EMEN1
SCHEMBL588980 0.70 ICMT (0.62) MAPTLMNAICMTKDM4EMEN1
SCHEMBL15782793 0.70 GLS (0.56) CYP3A4BAZ2BTBXAS1CYP11B1CYP11B2
SCHEMBL8444605 0.69 CDK2 (0.50) MAPTICMT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO disclosed