SCHEMBL16656233

SCHEMBL16656233

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1R1 P14778 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 3/20 0.35
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
CDK1 P06493 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
ABL2 P42684 1/20 0.32

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
SCHEMBL16656237 0.83 DPP4 (0.42) IL1R1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL16656578 0.82 MGAM (0.41) IL1R1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL16656236 0.82 APP (0.39) IL1R1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15082778 0.82 APP (0.39) IL1R1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL16656234 0.81 IL1R1 (0.42) IL1R1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15082779 0.79 IL1R1 (0.48) IL1R1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15085212 0.77 RXFP1 (0.34) IL1R1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15082787 0.73 RXFP1 (0.34) IL1R1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15082768 0.73 MAPT (0.33) IL1R1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL18803005 0.70 IL1R1 (0.54) IL1R1KMT2AMEN1L3MBTL1ALDH1A1

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