SCHEMBL6660832

SCHEMBL6660832

Cc1cccc(NC(=O)c2nccs2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.60
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KCNK3 O14649 4/20 0.51
KCNK9 Q9NPC2 4/20 0.51
KCNH2 Q12809 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL6664215 0.83 MEN1 (0.65) GRM4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2533805 0.82 SMN1; SMN2 (0.62) GRM4KMT2AMEN1RXFP1ALDH1A1
SCHEMBL470920 0.82 GRM4 (0.60) GRM4ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL23070716 0.82 KCNK3 (0.62) GRM4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL29684560 0.82 KCNK3 (0.55) GRM4KMT2AMEN1KDM4EMAPT
SCHEMBL168594 0.82 GRM4 (0.63) GRM4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5164235 0.78 GRM4 (0.59) GRM4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14700785 0.77 GRM4 (0.71) GRM4KMT2AMEN1
SCHEMBL6011016 0.77 GRM4 (0.58) GRM4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1848072 0.77 LMNA (0.62) GRM4KMT2AMEN1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO disclosed