SCHEMBL7501684

SCHEMBL7501684

Cn1cc(C(=O)C(=O)Cl)c2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
KDM1A O60341 1/20 0.40
PGR P06401 1/20 0.39
SLC6A4 P31645 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MITF O75030 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CACNA1H O95180 1/20 0.37
DUSP3 P51452 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 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
SCHEMBL7384494 0.89 SLC6A4 (0.47) KDM1ASLC6A4CNR1CNR2MAPT
SCHEMBL7535287 0.87 IMPDH2 (0.41) IMPDH2BRD4CREBBPKDM1APGR
SCHEMBL7500735 0.81 ALDH1A1 (0.42) IMPDH2MAPTKMT2AMEN1ALDH1A1
SCHEMBL7502009 0.80 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7506054 0.78 IDO1 (0.46) SLC6A4CNR1CNR2MAPTKMT2A
SCHEMBL7504662 0.78 KMT2A (0.40) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7501910 0.78 ALDH1A1 (0.40) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7501211 0.77 ALDH1A1 (0.39) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL10341069 0.77 KDM4E (0.44) IMPDH2BRD4CREBBPKDM1APGR
SCHEMBL7503200 0.76 ALDH1A1 (0.54) CREBBPCNR1CNR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915870-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2002-09-25 EP disclosed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
US-6228877-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. 2001-05-08 US disclosed
EP-0915870-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP disclosed
US-5856517-A ANTIPROLIFERATIVE AGENTS USEFUL IN THE TREATMENT OF CANCER. HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
WO-1998004551-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1998-02-05 WO disclosed