SCHEMBL7528351

SCHEMBL7528351

Cn1cc(CC(N)=O)c2ccc(N3CCCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 4/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.41
ICMT O60725 4/20 0.40
IP6K1 Q92551 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ERCC1 P07992 1/20 0.36

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
SCHEMBL7593340 0.89 MAPT (0.46) MAPTLMNAHTTMAPK1GAA
SCHEMBL7976440 0.88 LMNA (0.46) MAPTLMNAHTTMAPK1GAA
SCHEMBL7524516 0.85 MAPT (0.44) MAPTLMNAHTTMAPK1GAA
SCHEMBL7526498 0.76 CYP3A4 (0.42) MAPTLMNAHTTICMTALDH1A1
SCHEMBL7591435 0.75 MAPT (0.49) MAPTLMNAHTTMAPK1GAA
SCHEMBL30958421 0.73 ICMT (0.62) MAPTLMNAGAAICMTALDH1A1
SCHEMBL588980 0.73 ICMT (0.62) MAPTLMNAGAAICMTALDH1A1
SCHEMBL8444605 0.73 CDK2 (0.50) MAPTICMT
SCHEMBL7529392 0.72 PTK2 (0.38) ICMT
Hydrochloric Acid SCHEMBL3155846 0.72 ICMT (0.60) MAPTLMNAGAAICMTALDH1A1

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