SCHEMBL19104136

SCHEMBL19104136

CC(C)(C)c1ccc2nc(O)ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SCN10A Q9Y5Y9 6/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ METAP2 P50579 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ SRC P12931 1/20 0.36

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
SCHEMBL4548606 0.80 SCN10A (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18177013 0.80 SCN10A (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL179533 0.79 LCK (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL14044797 0.76 SCN10A (0.37) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL20047540 0.76 SCN10A (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL25449364 0.76 LCK (0.41) SCN10AKCNH2METAP2LCKKDR
SCHEMBL14239550 0.76 CYP1A2 (0.48) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL12755251 0.74 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL22393717 0.73 SCN10A (0.38) SCN10AKCNH2SMN1; SMN2LCKKIT
SCHEMBL12755258 0.73 PIK3CA (0.54) MAPTMEN1KMT2ASCN10ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9700543-B2 GLP-1 receptor stabilizers and modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-07-11 — — US disclosed
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