SCHEMBL6386604

SCHEMBL6386604

CSc1ccc(-c2sc(N)nc2-c2ccc(CCO)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
XBP1 P17861 1/20 0.51
FBP1 P09467 2/20 0.51
ALDH1A1 P00352 7/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.40
PKM P14618 2/20 0.40
CDK1 P06493 2/20 0.37

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
SCHEMBL4874973 0.90 MAPT (0.54) MAPTSMN1; SMN2KDM4EMAPK1LMNA
SCHEMBL27634198 0.79 MAPT (0.56) MAPTSMN1; SMN2KDM4EMAPK1LMNA
SCHEMBL6386608 0.78 MAPT (0.52) MAPTSMN1; SMN2KDM4EMAPK1LMNA
SCHEMBL4870686 0.75 MYC (0.58) MAPTSMN1; SMN2KDM4EMAPK1LMNA
SCHEMBL1097266 0.73 CA2 (0.52) CYP1A2CYP2C19GAACYP3A4CYP2C9
SCHEMBL16682293 0.72 ALDH1A1 (0.73) MAPTSMN1; SMN2KDM4EMAPK1LMNA
SCHEMBL22048445 0.70 SMN1; SMN2 (0.52) MAPTSMN1; SMN2KDM4EMAPK1LMNA
SCHEMBL25352230 0.69 MAPT (1.00) MAPTSMN1; SMN2KDM4EMAPK1LMNA
SCHEMBL5045105 0.69 SMN1; SMN2 (0.61) MAPTSMN1; SMN2KDM4EMAPK1LMNA
SCHEMBL26479209 0.68 FBP1 (0.42) MAPTSMN1; SMN2KDM4EMAPK1LMNA

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-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed