SCHEMBL9522902

SCHEMBL9522902

CCCCCCCCc1cc(C(=O)c2ccccc2OC)c(N)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.74
LMNA P02545 2/20 0.74
HSD17B10 Q99714 2/20 0.74
CNR2 P34972 3/20 0.47
CNR1 P21554 2/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL9522217 1.00 ALOX15 (0.74) ALOX15LMNAHSD17B10CNR2CNR1
SCHEMBL9523389 0.84 ALOX15 (0.51) ALOX15LMNAHSD17B10CNR2CNR1
SCHEMBL9525546 0.84 ALOX15 (0.51) ALOX15LMNAHSD17B10CNR2CNR1
SCHEMBL9522274 0.83 ALOX15 (0.50) ALOX15LMNAHSD17B10CNR2CNR1
SCHEMBL9525622 0.83 ALOX15 (0.50) ALOX15LMNAHSD17B10CNR2CNR1
SCHEMBL9522372 0.83 ALOX15 (0.50) ALOX15LMNAHSD17B10CNR2CNR1
SCHEMBL10464665 0.83 ALOX15 (0.50) ALOX15LMNAHSD17B10CNR2CNR1
SCHEMBL9522929 0.83 ALOX15 (0.50) ALOX15LMNAHSD17B10CNR2CNR1
SCHEMBL9523899 0.83 HSD17B10 (0.51) ALOX15LMNAHSD17B10CNR2CNR1
SCHEMBL9522999 0.83 HSD17B10 (0.51) ALOX15LMNAHSD17B10CNR2CNR1

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