SCHEMBL2433596

SCHEMBL2433596

CC(C)N(c1cc(-c2ccc(NC(=O)c3ccccn3)s2)sc1OC(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
GRM4 Q14833 2/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM5A P29375 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.33
PKM P14618 2/20 0.33
TP53 P04637 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 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
SCHEMBL2433357 0.90 GRM4 (0.32) GRM4
SCHEMBL2433595 0.89 GRM4 (0.36) MAPTGRM4RAB9ANPC1SMN1; SMN2
SCHEMBL2431208 0.89 MAPT (0.36) MAPTGRM4RAB9ANPC1SMN1; SMN2
SCHEMBL2435967 0.84 NPSR1 (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2431182 0.84 ADORA2B (0.35) MAPTRAB9ANPC1SMN1; SMN2KDM5A
SCHEMBL2428555 0.79 GRM4 (0.31) GRM4
SCHEMBL3807257 0.79 KDM4E (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2429131 0.78 GRM4 (0.33) GRM4HTT
SCHEMBL2432670 0.77 PTPN1 (0.46) MAPTGRM4RAB9ANPC1SMN1; SMN2
SCHEMBL2432673 0.77 PTPN1 (0.46) MAPTGRM4RAB9ANPC1SMN1; SMN2

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-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP claimed