SCHEMBL1851409

SCHEMBL1851409

O=c1sc2cc(O)ccc2n1C=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GUSB P08236 1/20 0.38
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
DEGS1 O15121 1/20 0.35
ALDH2 P05091 1/20 0.35
HSPD1 P10809 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
SCHEMBL1851407 1.00 MEN1 (0.38) MEN1KMT2ACYP3A4MAPTTDP1
SCHEMBL1852736 0.86 PTGS1 (0.43) MEN1KMT2AMAPTSMN1; SMN2MMP1
SCHEMBL1852734 0.86 PTGS1 (0.43) MEN1KMT2AMAPTSMN1; SMN2MMP1
SCHEMBL3303703 0.83 KMT2A (0.47) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL3303698 0.83 KMT2A (0.47) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL13394645 0.82 L3MBTL1 (0.45) CYP3A4KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL13394314 0.80 SMN1; SMN2 (0.45) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL29186737 0.72 GAA (0.44) MEN1KMT2ACYP3A4MAPTKDM4E
SCHEMBL13394308 0.69 L3MBTL1 (0.68) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL14864458 0.69 HTR6 (0.50) MAPTALDH1A1THRBSMN1; SMN2CYP19A1

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-2323697-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY Siemens Medical Solutions USA, Inc. (US) 2011-05-25 EP disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 WO disclosed