SCHEMBL6980486

SCHEMBL6980486

N=c1ccccc(C/C=C/c2cccs2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
PSMD14 O00487 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
AGTR1 P30556 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6980487 1.00 GRM4 (0.38) GRM4HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL1040885 0.72 HCAR2 (0.44) HCAR2RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL9113768 0.67
SCHEMBL22182586 0.67
SCHEMBL9380636 0.67
SCHEMBL1499956 0.67
SCHEMBL7292878 0.67
SCHEMBL8108021 0.67
SCHEMBL9879310 0.67
SCHEMBL10691076 0.67

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed