SCHEMBL9505474

SCHEMBL9505474

NC(=S)C(C(=O)O)(c1ccccn1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 7/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL9503389 0.84 MAPT (0.37) KEAP1NFE2L2SMN1; SMN2MEN1KMT2A
SCHEMBL3689611 0.78 P2RX7 (0.35) SMN1; SMN2L3MBTL1TRPM8
SCHEMBL9507126 0.77 SMN1; SMN2 (0.44) PKMSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9505436 0.77 SMN1; SMN2 (0.44) PKMSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9503407 0.75 SMN1; SMN2 (0.43) PKMSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10697581 0.75 KEAP1 (0.43) KEAP1NFE2L2SMN1; SMN2MEN1KMT2A
SCHEMBL9503387 0.75 SMN1; SMN2 (0.45) PKMSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6589388 0.75 KEAP1 (0.61) KEAP1NFE2L2SMN1; SMN2MEN1KMT2A
SCHEMBL9503390 0.74 KDM4E (0.41) PKMSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16500241 0.74 KEAP1 (0.49) KEAP1NFE2L2SMN1; SMN2MEN1KMT2A

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-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 EP claimed