SCHEMBL6948980

SCHEMBL6948980

Cn1cc(C(=O)C(=O)Cl)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.46
MAPT P10636 4/20 0.43
NPC1 O15118 1/20 0.43
MCL1 Q07820 1/20 0.43
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL7508094 0.89 CDK2 (0.46) CDK2MAPTNPC1MCL1KMT2A
SCHEMBL2846714 0.85 CDK2 (0.56) CDK2MAPTNPC1MCL1KMT2A
SCHEMBL2075770 0.81 POLB (0.47) CDK2MAPTNPC1KMT2APOLB
SCHEMBL2852352 0.80 HTT (0.58) CDK2MAPTNPC1MCL1KMT2A
SCHEMBL7500735 0.80 ALDH1A1 (0.42) CDK2MAPTNPC1KMT2APOLB
SCHEMBL7502009 0.79 KMT2A (0.41) CDK2MAPTNPC1KMT2APOLB
SCHEMBL11523840 0.78 CDK2 (0.53) CDK2MAPTKMT2A
SCHEMBL11523836 0.78 CDK2 (0.53) CDK2MAPTKMT2A
SCHEMBL2844171 0.78 MAPT (0.59) MAPTKMT2APOLBL3MBTL1
SCHEMBL7504662 0.77 KMT2A (0.40) CDK2MAPTNPC1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064279-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2003-06-25 EP disclosed
EP-0915870-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2002-09-25 EP disclosed
US-6228877-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. 2001-05-08 US disclosed
EP-1064279-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 2001-01-03 EP disclosed
US-6048887-A 3-(1H-INDOL-3-YL)-4-(1-METHYL-6-NITRO-1H-INDOL-3-YL)-PYRROLE-2,5 -DIONE(AND OTHER DERIVATIVES) AS ANTICARCINOGENIC, ANTITUMOR OR ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-04-11 US disclosed
WO-1999047518-A1 SUBSTITUTED BISINDOLYMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-09-23 WO disclosed
EP-0915870-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP disclosed
WO-1998004551-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1998-02-05 WO disclosed