SCHEMBL4247152

SCHEMBL4247152

O=C1N=C2C(=Nc3ccccc32)C2=C1C=CCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APAF1 O14727 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TSHR P16473 1/20 0.34
HK1 P19367 1/20 0.34
GALK1 P51570 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLK1 P53350 1/20 0.32
IDO1 P14902 1/20 0.32
SRC P12931 2/20 0.31
CTRB1 P17538 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31

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
SCHEMBL30704441 0.78 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17760834 0.77 IDO1 (0.34) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2796799 0.74 ABCG2 (0.37)
SCHEMBL29726351 0.71 MEN1 (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL12672548 0.71 MEN1 (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL225315 0.71 MEN1 (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5073581 0.70 IDO1 (0.33) IDO1
SCHEMBL28750604 0.69 MEN1 (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9181176 0.67 PTPRC (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17936809 0.67 MEN1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA

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-1603568-A4 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2009-02-25 EP disclosed
EP-1784186-A4 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORP (US) 2008-05-14 EP disclosed
EP-1784186-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE Inotek Pharmaceuticals Corporation (US) 2007-05-16 EP disclosed
WO-2006009718-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2006-01-26 WO disclosed
EP-1603568-A2 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2005-12-14 EP disclosed
WO-2004078712-A2 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO disclosed