SCHEMBL16656237

SCHEMBL16656237

OCc1ccc(-n2c(-c3ccccc3)c(-c3ccc(-c4cccs4)s3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
IL1R1 P14778 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 4/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FYN P06241 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN9A Q15858 2/20 0.33
PPARG P37231 2/20 0.33
NCOA2 Q15596 2/20 0.33

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
SCHEMBL16656234 0.92 IL1R1 (0.42) IL1R1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16656574 0.83 MAPT (0.44) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL16656236 0.83 APP (0.39) DPP4IL1R1ALDH1A1MAPTKMT2A
SCHEMBL15082778 0.83 APP (0.39) DPP4IL1R1ALDH1A1MAPTKMT2A
SCHEMBL16656233 0.83 IL1R1 (0.40) IL1R1ALDH1A1MAPTKMT2AMEN1
SCHEMBL15085214 0.80 ALDH1A1 (0.49) IL1R1ALDH1A1MAPTKMT2AMEN1
SCHEMBL15082789 0.77 ALDH1A1 (0.55) IL1R1ALDH1A1MAPTKMT2AMEN1
SCHEMBL16656575 0.74 MAPT (0.47) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL15082768 0.74 MAPT (0.33) IL1R1ALDH1A1MAPTKMT2AMEN1
SCHEMBL15082779 0.72 IL1R1 (0.48) IL1R1ALDH1A1MAPTKMT2AMEN1

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