SCHEMBL7860372

SCHEMBL7860372

Cc1ccc(COc2ccc(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cc2OCCCCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5 P09917 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS2 P35354 1/20 0.45
TNF P01375 3/20 0.42
TNFSF11 O14788 2/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL7853774 0.84 HTR6 (0.49) MEN1KMT2A
SCHEMBL7859137 0.83 PLK1 (0.49) PLK1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8716050 0.82 NOD2 (0.49) ALOX5LMNA
SCHEMBL8717851 0.79 HTR6 (0.42) MEN1KMT2AALOX5LMNASMN1; SMN2
SCHEMBL7860934 0.78 CNR1 (0.53) MEN1KMT2ASMN1; SMN2
SCHEMBL7853702 0.77 MEN1 (0.45) PLK1MEN1KMT2AALOX5LMNA
SCHEMBL7853706 0.77 MEN1 (0.45) PLK1MEN1KMT2AALOX5LMNA
SCHEMBL7859401 0.73 MEN1 (0.60) PLK1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7860826 0.73 MEN1 (0.46) PLK1MEN1KMT2AALOX5LMNA
SCHEMBL8717853 0.72 HTR6 (0.46)

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-0753511-B1 4-INDOL-1-YL BUTYRIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ALPHA1-ADRENERGIC RECEPTORS AND TESTOSTERONE 5ALPHA-REDUCTASES ZERIA PHARM CO LTD (JP) 2001-07-11 EP disclosed
EP-0753511-A1 INDOLE DERIVATIVE AND MEDICINE CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-15 EP disclosed