SCHEMBL6402043

SCHEMBL6402043

Cc1cccc(-c2nc(CSc3nnc(-c4csc(C)n4)n3C)no2)c1.Cc1cccc(-c2nc(CSc3nnc(-c4csc(C)n4)n3C)no2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MAPT P10636 5/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL1544264 1.00 LMNA (0.43) LMNAMAPTRXFP1ALDH1A1CYP3A4
SCHEMBL1543711 0.87 LMNA (0.43) LMNAMAPTRXFP1ALDH1A1CYP3A4
SCHEMBL1544079 0.85 LMNA (0.55) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL1543757 0.84 POLB (0.55) LMNAMAPTRXFP1ALDH1A1CYP3A4
SCHEMBL1543530 0.84 LMNA (0.57) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL1544111 0.84 LMNA (0.47) LMNAMAPTRXFP1ALDH1A1CYP3A4
SCHEMBL1544203 0.84 MAPT (0.54) LMNAMAPTALDH1A1TSHRNPC1
SCHEMBL1544243 0.84 GRM5 (0.55) LMNAMAPTALDH1A1TSHRNPC1
SCHEMBL1543613 0.83 LMNA (0.43) LMNAMAPTRXFP1ALDH1A1CYP3A4
SCHEMBL1544093 0.83 CYP3A4 (0.48) LMNAMAPTRXFP1ALDH1A1CYP3A4

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-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed