SCHEMBL7591001

SCHEMBL7591001

Cn1cc(C(=O)C(=O)O)c2ccc(N3CCOCC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.47
LMNA P02545 1/20 0.45
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
AKR1C3 P42330 2/20 0.43
KMO O15229 1/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC16A3 O15427 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL13044046 0.77 MAPT (0.53) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL22790158 0.76 KHK (0.46) LMNAMEN1KMT2AJAK2JAK1
SCHEMBL7593340 0.76 MAPT (0.46) PRKDCLMNAMAPTGAAALDH1A1
SCHEMBL18029112 0.75 PTGS2 (0.50) PRKDCLMNAKMOMAPTGAA
SCHEMBL7591435 0.74 MAPT (0.49) PRKDCLMNAMAPTGAAMEN1
SCHEMBL13043185 0.73 RAB9A (0.55) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL7525730 0.73 KMT2A (0.44) LMNAKMOMAPTMEN1KMT2A
SCHEMBL4002802 0.73 SERPINE1 (0.47) LMNAALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL7522675 0.73 ALDH1A1 (0.44) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL20119973 0.72 LMNA (0.43) PRKDCLMNAKMOMAPTGAA

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