SCHEMBL9523577

SCHEMBL9523577

CCCCCCc1cc(C(=O)c2ccccc2OC)c(NC(=O)CCl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 2/20 0.48
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
PPARA Q07869 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL9523458 1.00 LMNA (0.51) LMNAMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL9523899 0.90 HSD17B10 (0.51) LMNAMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL9522999 0.90 HSD17B10 (0.51) LMNAMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL8290713 0.88 ALDH1A1 (0.65) LMNAMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL9522255 0.86 ALDH1A1 (0.51) LMNAMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL9522330 0.86 MAPT (0.54) LMNAMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL9522428 0.86 ALDH1A1 (0.51) LMNAMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL10462493 0.86 ALDH1A1 (0.51) LMNAMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL9523579 0.86 ALDH1A1 (0.51) LMNAMAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL9522459 0.86 ALDH1A1 (0.51) LMNAMAPTALDH1A1L3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315698-B1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-4960770-A Vasodilating agents, cardiovascular disorder YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-02 US disclosed
EP-0315698-A1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-05-17 EP disclosed