SCHEMBL7524516

SCHEMBL7524516

COC(=O)Cc1cn(C)c2cc(N3CCCC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
S1PR2 O95136 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 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
SCHEMBL7591435 0.90 MAPT (0.49) MAPTLMNAHTTMAPK1GAA
SCHEMBL7976440 0.86 LMNA (0.46) MAPTLMNAHTTMAPK1GAA
SCHEMBL7528351 0.85 MAPT (0.46) MAPTLMNAHTTMAPK1GAA
SCHEMBL2085331 0.79 KDM4E (0.51) MAPTLMNAGAAKDM4ETSHR
SCHEMBL14564357 0.79 ICMT (0.47) MAPTLMNAHTTGAAKDM4E
SCHEMBL5447791 0.78 KDM4E (0.44) MAPTLMNAGAAKDM4ETSHR
SCHEMBL28836368 0.78 MEN1 (0.50) MAPTLMNAGAAKDM4ETSHR
SCHEMBL7592572 0.77 HTT (0.46) MAPTLMNAHTTKDM4EALDH1A1
SCHEMBL7593340 0.75 MAPT (0.46) MAPTLMNAHTTMAPK1GAA
SCHEMBL31498840 0.74 KDM4E (0.65) MAPTLMNAGAAKDM4ETSHR

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