SCHEMBL5033374

SCHEMBL5033374

O=C(NCc1ccccc1)N(c1ccco1)c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.44
OPRM1 P35372 1/20 0.43

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
SCHEMBL10853381 0.80 CTDSP1 (0.44) CTDSP1MEN1KMT2AALDH1A1POLB
SCHEMBL5821792 0.76 SMN1; SMN2 (0.42) CTDSP1MEN1KMT2AALDH1A1POLB
SCHEMBL29221819 0.76 HSP90AA1 (0.53) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL5123738 0.75 ALDH1A1 (0.77) CTDSP1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3360546 0.72 PTPN1 (0.43) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL1134867 0.71 TSHR (0.60) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11611701 0.71 OPRM1 (0.58) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9365608 0.70 ALDH1A1 (0.57) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL9547589 0.69 CES2 (0.44) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL29221790 0.69 ALDH1A1 (0.62) MEN1KMT2AALDH1A1HPGDSMN1; SMN2

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
EP-1919465-A2 GSK-3 INHIBITORS Neuropharma S.A. (ES) 2008-05-14 EP disclosed
WO-2007017145-A2 GSK-3 INHIBITORS NEUROPHARMA, S.A. (ES) 2007-02-15 WO disclosed