SCHEMBL8809362

SCHEMBL8809362

COc1ccc(CN(C)CCCSc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ OPRM1 P35372 3/20 0.41
▸ TMEM97 Q5BJF2 3/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAOA P21397 4/20 0.39
▸ MAOB P27338 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL8809632 0.90 BCHE (0.44) SMN1; SMN2MAPK1OPRM1TMEM97SIGMAR1
SCHEMBL8808363 0.90 MAOA (0.46) OPRM1TMEM97SIGMAR1BCHEACHE
SCHEMBL8809566 0.89 BCHE (0.43) SMN1; SMN2MAPK1OPRM1TMEM97SIGMAR1
SCHEMBL8808101 0.89 BCHE (0.43) SMN1; SMN2MAPK1OPRM1TMEM97SIGMAR1
SCHEMBL8807951 0.89 BCHE (0.45) SMN1; SMN2MAPK1OPRM1TMEM97SIGMAR1
SCHEMBL8809365 0.88 F10 (0.40) SMN1; SMN2MAPK1MAPTTP53POLB
SCHEMBL8810117 0.87 MCHR1 (0.45) SMN1; SMN2MAPK1OPRM1TMEM97SIGMAR1
SCHEMBL8788717 0.84 ABCG2 (0.57) SMN1; SMN2MAPK1OPRM1TMEM97SIGMAR1
SCHEMBL8790357 0.84 ABCG2 (0.54) SMN1; SMN2MAPK1OPRM1TMEM97SIGMAR1
SCHEMBL8807015 0.84 ABCG2 (0.44) SMN1; SMN2MAPTTP53POLBMEN1

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
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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