SCHEMBL9523899

SCHEMBL9523899

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
LMNA P02545 2/20 0.51
ALOX15 P16050 1/20 0.51
RXFP1 Q9HBX9 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
PPARA Q07869 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
CTSD P07339 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9522999 1.00 HSD17B10 (0.51) HSD17B10LMNAALOX15RXFP1CNR1
SCHEMBL9523577 0.90 LMNA (0.51) HSD17B10LMNAALOX15RXFP1CNR1
SCHEMBL9523458 0.90 LMNA (0.51) HSD17B10LMNAALOX15RXFP1CNR1
SCHEMBL9523479 0.86 THRB (0.41) HSD17B10LMNAALOX15RXFP1MEN1
SCHEMBL9522489 0.86 THRB (0.41) HSD17B10LMNAALOX15RXFP1MEN1
SCHEMBL9522382 0.85 GABRP (0.50) HSD17B10LMNAALOX15RXFP1MEN1
SCHEMBL9523492 0.85 GABRP (0.50) HSD17B10LMNAALOX15RXFP1MEN1
SCHEMBL6630752 0.85 GABRP (0.50) HSD17B10LMNAALOX15RXFP1MEN1
SCHEMBL9522861 0.85 GABRP (0.50) HSD17B10LMNAALOX15RXFP1MEN1
SCHEMBL9522217 0.83 ALOX15 (0.74) HSD17B10LMNAALOX15CNR1CNR2

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