SCHEMBL9528398

SCHEMBL9528398

Cc1cc(C)cc(NC(=S)NC(C)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.54
HTT P42858 4/20 0.54
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 3/20 0.49
ALOX12 P18054 3/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL9528390 1.00 QPCT (0.54) QPCTHTTMAPTGAAALDH1A1
SCHEMBL5455317 0.85 HSD17B10 (0.64) QPCTHTTGAAALDH1A1ALOX12
SCHEMBL27290804 0.81 CRHBP (0.65) QPCTHTTMAPTGAAALDH1A1
SCHEMBL6811098 0.81 KMT2A (0.62) QPCTHTTMAPTGAAALDH1A1
SCHEMBL3301579 0.80 MAPT (0.75) QPCTHTTMAPTGAAALDH1A1
SCHEMBL28299815 0.78 ALDH1A1 (0.68) MAPTGAAALDH1A1ALOX12LMNA
SCHEMBL10453776 0.78 MEN1 (0.65) QPCTHTTMAPTALDH1A1ALOX12
SCHEMBL31616398 0.78 MTOR (0.71) QPCTHTTMAPTGAAALDH1A1
SCHEMBL10453774 0.78 MEN1 (0.65) QPCTHTTMAPTALDH1A1ALOX12
SCHEMBL31616392 0.78 MTOR (0.71) QPCTHTTMAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP disclosed