SCHEMBL16656236

SCHEMBL16656236

O=Cc1ccc(-c2ccc(-c3c(-c4ccccc4)n(-c4ccc(CO)cc4)c4ccccc34)s2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
IL1R1 P14778 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SNCA P37840 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL15082778 1.00 APP (0.39) APPIL1R1MAPTKMT2AALDH1A1
SCHEMBL15085181 0.84 ALDH1A1 (0.40) APPMAPTKMT2AALDH1A1MEN1
SCHEMBL16656576 0.84 ALDH1A1 (0.40) APPMAPTKMT2AALDH1A1MEN1
SCHEMBL16656237 0.83 DPP4 (0.42) IL1R1MAPTKMT2AALDH1A1MEN1
SCHEMBL15082768 0.83 MAPT (0.33) APPIL1R1MAPTKMT2AALDH1A1
SCHEMBL16656233 0.82 IL1R1 (0.40) IL1R1MAPTKMT2AALDH1A1MEN1
SCHEMBL16656234 0.77 IL1R1 (0.42) IL1R1MAPTKMT2AALDH1A1MEN1
SCHEMBL15082766 0.75 MAPT (0.32) APPMAPTKMT2AMEN1
SCHEMBL15082767 0.72 MAPT (0.34) APPMAPTALDH1A1KDM4ELMNA
SCHEMBL15082779 0.71 IL1R1 (0.48) IL1R1MAPTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012773-B2 Thiazole-based compound and uses thereof NEC CORPORATION (JP) 2015-04-21 US disclosed