SCHEMBL8091016

SCHEMBL8091016

O=C1c2ccccc2C(=O)N1CC/C=C/c1csc(-c2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
PDE10A Q9Y233 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GFER P55789 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL8091020 1.00 HSD17B10 (0.42) HSD17B10PDE10ALMNASMN1; SMN2ALDH1A1
SCHEMBL23027794 0.78 LMNA (0.65) HSD17B10PDE10ALMNASMN1; SMN2ALDH1A1
SCHEMBL8079751 0.75 LMNA (0.55) HSD17B10PDE10ALMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11480185 0.73 POLB (0.43) HSD17B10LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2438256 0.71 PDE10A (0.58) HSD17B10PDE10ALMNASMN1; SMN2ALDH1A1
SCHEMBL9116764 0.69 PDE10A (0.56) HSD17B10PDE10ALMNASMN1; SMN2ALDH1A1
SCHEMBL22121427 0.68 GLS (0.59) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL29263669 0.66 HSD17B10 (0.69) HSD17B10SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL7081163 0.64 RAB9A (0.37) HSD17B10SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL23027798 0.63 LMNA (0.78) HSD17B10PDE10ALMNASMN1; SMN2ALDH1A1

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
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed