SCHEMBL4776005

SCHEMBL4776005

CCc1cc(C(=O)c2ccc(OC)cc2)c(N)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
GAA P10253 4/20 1.00
HTT P42858 2/20 1.00
LMNA P02545 1/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NPSR1 Q6W5P4 4/20 0.59
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
GFER P55789 1/20 0.55
MAPK1 P28482 1/20 0.54
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51

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
SCHEMBL9523034 0.85 MAPT (0.73) MAPTGAAHTTLMNAALOX15
SCHEMBL3576636 0.84 MAPT (0.73) MAPTGAAHTTLMNAALOX15
SCHEMBL8671592 0.84 MAPT (0.72) MAPTGAAHTTLMNAALOX15
SCHEMBL8288646 0.83 MAPT (0.71) MAPTGAAHTTLMNAALOX15
SCHEMBL8457805 0.83 MAPT (0.71) MAPTGAAHTTLMNAALOX15
SCHEMBL8289684 0.82 MAPT (0.70) MAPTGAAHTTLMNAALOX15
SCHEMBL8671132 0.76 MAPT (0.77) MAPTGAAHTTLMNAHSD17B10
SCHEMBL27459761 0.75 MAPT (0.60) MAPTGAAHTTLMNAALOX15
SCHEMBL13436126 0.74 NPSR1 (1.00) MAPTGAAHTTLMNAHSD17B10
SCHEMBL1965507 0.74 GAA (0.73) MAPTGAAHTTLMNAALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
US-5753649-A Therapeutic agent for osteoporosis and diazepine compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed