SCHEMBL4739721

SCHEMBL4739721

O=C1C=C2C(=Nc3ccccc32)C=N1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HK1 P19367 1/20 0.33
GALK1 P51570 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.30

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
SCHEMBL3348606 0.74 MAOA (0.38) KDM4EMEN1APAF1ALDH1A1LMNA
SCHEMBL30804593 0.74 MAOA (0.38) KDM4EMEN1APAF1ALDH1A1LMNA
SCHEMBL1173038 0.71 IDO1 (0.34) KDM4EMEN1APAF1ALDH1A1LMNA
Water SCHEMBL4797113 0.69 IDO1 (0.33) LMNAIDO1
SCHEMBL1886110 0.69 MEN1 (0.40) KDM4EMEN1APAF1ALDH1A1LMNA
SCHEMBL29056418 0.66 IDO1 (0.33) KDM4EMEN1APAF1ALDH1A1LMNA
SCHEMBL29593696 0.66 MEN1 (0.31) MEN1KMT2A
SCHEMBL5568782 0.66 MEN1 (0.31) MEN1KMT2A
SCHEMBL11018753 0.66 IDO1 (0.31) IDO1
SCHEMBL7335323 0.64 MAPT (0.39) KDM4EMEN1APAF1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008125658-A1 4,5,11,11A-TETRAHYDRO-1H,6H-OXAZOLO[3',4':1,6]PYRIDO[3,4-B]INDOL-3-ONE DERIVATIVES AND THERAPEUTIC USE THEREOF FOURTILLAN (FR) 2008-10-23 WO disclosed
WO-2008101824-A1 IMIDAZO[1',5':1,6] PYRIDO[3,4-B]INDOLES DERIVATIVES AND THERAPEUTICAL USE THEREOF FOURTILLAN (FR) 2008-08-28 WO disclosed