SCHEMBL7004199

SCHEMBL7004199

c1ccc(COCC2CSc3cccnc3O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 1/20 0.38
HRH4 Q9H3N8 4/20 0.37
HRH3 Q9Y5N1 4/20 0.37
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36
TSHR P16473 2/20 0.34
LTA4H P09960 1/20 0.34
MAPK14 Q16539 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 2/20 0.34
DRD1 P21728 1/20 0.34
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CDC7 O00311 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4957870 0.76 LMNA (0.47) LMNATAAR1LTA4H
SCHEMBL31343863 0.75 LMNA (0.43) LMNATAAR1HRH4HRH3PTPN1
SCHEMBL6743385 0.74 LMNA (0.54) LMNATAAR1HRH4HRH3PTPN1
SCHEMBL14462812 0.73 LMNA (0.44) LMNATAAR1HRH4HRH3PTPN1
SCHEMBL23365288 0.68 LMNA (0.44) LMNATAAR1HRH4HRH3PTPN1
SCHEMBL715660 0.66 LMNA (0.57) LMNATAAR1HRH4HRH3TSHR
SCHEMBL306297 0.66 LMNA (0.57) LMNATAAR1HRH4HRH3TSHR
SCHEMBL153049 0.66 LMNA (0.57) LMNATAAR1HRH4HRH3TSHR
SCHEMBL16993434 0.65 LMNA (0.55) LMNATAAR1HRH4HRH3TSHR
Ammonia Solution, Strong SCHEMBL28849284 0.65 LMNA (0.55) LMNATAAR1HRH4HRH3TSHR

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-1296987-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-02 EP disclosed
WO-2001098306-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2001-12-27 WO disclosed