SCHEMBL10652156

SCHEMBL10652156

C=CCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
IDO1 P14902 1/20 0.46
MEN1 O00255 1/20 0.46
CRBN Q96SW2 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TGM2 P21980 1/20 0.41
DHFR P00374 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
APP P05067 1/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL313922 0.95 MAPT (0.58) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL313315 0.91 HSPB1 (0.50) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4921528 0.86 MAPT (0.49) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8755108 0.79 L3MBTL1 (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL74124 0.79 ALDH1A1 (0.56) MAPTKMT2AALDH1A1POLBIDO1
SCHEMBL8746689 0.78 ALDH1A1 (0.54) MAPTKMT2AALDH1A1POLBIDO1
SCHEMBL8746687 0.78 ALDH1A1 (0.64) MAPTKMT2AALDH1A1POLBIDO1
SCHEMBL10828201 0.77 KMT2A (0.49) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11310402 0.76 MAPT (0.44) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9395356 0.76 MAPT (0.57) MAPTKMT2AALDH1A1POLBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257391-A2 5-Substituted-3-phenyl-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidines FISONS CORPORATION (US) 1988-03-02 EP disclosed
US-4727156-A 3-(Substituted phenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-{[(substituted phenyl)thio]me}isoxazolidine derivatives PENNWALT CORPORATION (US) 1988-02-23 US disclosed