SCHEMBL7981713

SCHEMBL7981713

SCCc1cn2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.59
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
SMN1; SMN2 Q16637 9/20 0.53
KDM4E B2RXH2 7/20 0.53
TP53 P04637 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 4/20 0.49
TSHR P16473 4/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL9043267 0.85 RAB9A (0.55) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14911778 0.82 PDE10A (0.59) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9971243 0.82 PDE10A (0.59) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7834962 0.82 PDE10A (0.59) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2732396 0.82 PDE10A (0.59) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL9444303 0.81 PDE10A (0.57) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL948504 0.81 PDE10A (0.57) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL12478474 0.81 PDE10A (0.57) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14974190 0.79 PDE10A (0.56) PDE10ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7507665 0.79 PDE10A (0.56) PDE10ANPC1RAB9ASMN1; SMN2KDM4E

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
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed