SCHEMBL9525546

SCHEMBL9525546

CCCCCCCCCCc1cc(C(=O)c2ccccc2C)c(N)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.51
HSD17B10 Q99714 3/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CDK5 Q00535 1/20 0.37
CCNB2 O95067 1/20 0.37

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
SCHEMBL9523389 1.00 ALOX15 (0.51) ALOX15HSD17B10LMNAGAAMAPT
SCHEMBL9522929 0.86 ALOX15 (0.50) ALOX15HSD17B10LMNAGAAMAPT
SCHEMBL9522274 0.86 ALOX15 (0.50) ALOX15HSD17B10LMNAGAAMAPT
SCHEMBL9522372 0.86 ALOX15 (0.50) ALOX15HSD17B10LMNAGAAMAPT
SCHEMBL10464665 0.86 ALOX15 (0.50) ALOX15HSD17B10LMNAGAAMAPT
SCHEMBL9525622 0.86 ALOX15 (0.50) ALOX15HSD17B10LMNAGAAMAPT
SCHEMBL9522217 0.84 ALOX15 (0.74) ALOX15HSD17B10LMNAGAAMAPT
SCHEMBL9522902 0.84 ALOX15 (0.74) ALOX15HSD17B10LMNAGAAMAPT
SCHEMBL9522489 0.82 THRB (0.41) ALOX15HSD17B10LMNAMAPTHTT
SCHEMBL9523479 0.82 THRB (0.41) ALOX15HSD17B10LMNAMAPTHTT

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