SCHEMBL9530573

SCHEMBL9530573

CC[C@H](NC(=S)Nc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.54
IDO1 P14902 1/20 0.49
NPC1 O15118 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ROCK1 Q13464 1/20 0.44
MYLK4 Q86YV6 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL27290761 0.86 CRHBP (0.56) QPCTIDO1MEN1KMT2AMAPT
SCHEMBL27182530 0.85 EEF2K (0.56) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL9529977 0.82 MAPT (0.58) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL22831502 0.82 IDO1 (0.47) QPCTIDO1MEN1KMT2AMAPT
SCHEMBL22831500 0.82 IDO1 (0.47) QPCTIDO1MEN1KMT2AMAPT
SCHEMBL6295850 0.76 ALDH1A1 (0.72) IDO1NPC1MEN1KMT2AMAPT
SCHEMBL27107264 0.76 IDO1 (0.52) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL27146380 0.76 IDO1 (0.52) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL27146381 0.76 IDO1 (0.52) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL26485884 0.75 MAPT (0.61) QPCTNPC1MEN1KMT2AMAPT

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
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed