SCHEMBL5820640

SCHEMBL5820640

CCc1ccc(-c2c3ccnsc-3c3c(=O)[nH]cnc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
PDPK1 O15530 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SIRT5 Q9NXA8 1/20 0.33
PDE9A O76083 1/20 0.32

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
SCHEMBL5822743 0.72 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL1787392 0.65 NOTUM (0.42) LMNAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1788065 0.64 RAB9A (0.41) LMNAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1785591 0.63 TNK2 (0.43) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL17961876 0.62 NPBWR1 (0.44) HPGD
SCHEMBL5814421 0.62 GRM1 (0.52) KDM4E
SCHEMBL1784417 0.62 PARP1 (0.37) LMNAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13946364 0.61 SMN1; SMN2 (0.42) LMNAMAPTSMN1; SMN2GAAKDM4E
SCHEMBL14501809 0.59 PDE9A (0.46) LMNAMAPTHPGDALDH1A1PDE9A
SCHEMBL22987199 0.57 PDPK1 (0.41) RAB9ANPC1SMN1; SMN2GAAPDPK1

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-10449216-B2 Modulating drug effects against metabotropic glutamate receptor with extracellular calcium GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-10-22 US disclosed
US-20160220603-A1 MODULATING DRUG EFFECTS AGAINST METABOTROPIC GLUTAMATE RECEPTOR WITH EXTRACELLULAR CALCIUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2016-08-04 US disclosed
WO-2006081072-A1 ANTAGONISTS OF THE MGLU RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-08-03 WO disclosed