SCHEMBL6946329

SCHEMBL6946329

CC(C)(C)C(=O)n1cc(CC#N)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
PRMT5 O14744 1/20 0.38
OXER1 Q8TDS5 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
STAT3 P40763 2/20 0.36
POLB P06746 1/20 0.36
EPHX1 P07099 1/20 0.35
HK1 P19367 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TSHR P16473 2/20 0.35
NR1H2 P55055 1/20 0.35
DUSP3 P51452 1/20 0.35

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
SCHEMBL8803444 0.84 CREBBP (0.47) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL273000 0.83 L3MBTL1 (0.63) L3MBTL1MEN1KMT2APOLBEPHX1
SCHEMBL4518718 0.82 STAT3 (0.42) L3MBTL1PRMT5OXER1ALDH1A1KDM4E
SCHEMBL19358619 0.79 HTR2A (0.55) L3MBTL1OXER1ALDH1A1KDM4E
SCHEMBL26134474 0.78 OXER1 (0.54) L3MBTL1OXER1ALDH1A1KDM4EMEN1
SCHEMBL30936109 0.77 HTR6 (0.54)
SCHEMBL7080367 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28477612 0.74 TFPI2 (0.47) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7166755 0.74 TACR3 (0.51) L3MBTL1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL28567995 0.73 KMT2A (0.46) L3MBTL1ALDH1A1KDM4EMEN1KMT2A

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
CN-1127500-C Substituted bisindolylmaleimides for inhibiting cell proliferation HOFFMANN LA ROCHE (CH) 2003-11-12 CN disclosed
EP-1064279-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2003-06-25 EP disclosed
CN-1293671-A Substituted bisindolymaleimides for inhibition of cell proliferation HOFFMANN LA ROCHE (CH) 2001-05-02 CN 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