SCHEMBL7983858

SCHEMBL7983858

CSc1nccn1Cc1nccc(SCCOC(=O)Nc2ccccc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 7/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL7983744 0.88 LMNA (0.43) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997664 0.77 GFER (0.36) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL7995873 0.77 LMNA (0.45) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7983888 0.76 LMNA (0.43) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7996728 0.74 LMNA (0.42) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7983644 0.74 LMNA (0.42) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997919 0.74 SMN1; SMN2 (0.46) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7997799 0.73 LMNA (0.41) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7994286 0.73 LMNA (0.41) LMNATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7994274 0.72 LMNA (0.46) LMNATSHRALDH1A1SMN1; SMN2MAPT

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed