SCHEMBL6613481

SCHEMBL6613481

Cc1ccccc1CNCc1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
CHRM2 P08172 2/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TAAR1 Q96RJ0 1/20 0.46
PKM P14618 1/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14365390 0.93 CHRM2 (0.57) HTTCHRM2MEN1KMT2ATAAR1
SCHEMBL607175 0.85 HTT (0.67) HTTCHRM2MEN1KMT2APKM
SCHEMBL40401 0.82 CHRM2 (0.69) HTTCHRM2MEN1KMT2ATAAR1
SCHEMBL25375887 0.82 HTT (0.55) HTTCHRM2MEN1KMT2AHPGD
SCHEMBL14492294 0.82 MAPK1 (0.60) HTTCHRM2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6065696 0.80 CHRM2 (0.67) HTTCHRM2MEN1KMT2ATAAR1
SCHEMBL14820047 0.79 ALDH1A1 (0.54) TAAR1ALDH1A1L3MBTL1
SCHEMBL9080908 0.78 KDM4E (0.56) HTTCHRM2MEN1KMT2APKM
SCHEMBL2125786 0.78 TDP1 (0.55) HTTMEN1KMT2AALDH1A1
SCHEMBL8771511 0.77 CYP3A4 (0.58) TAAR1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313732-B1 OXINDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2004-11-03 EP disclosed
EP-1313732-A1 OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-05-28 EP disclosed
WO-2002020524-A1 OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-03-14 WO disclosed