SCHEMBL8553103

SCHEMBL8553103

C=CCOc1ccc(C)c2c1C(C)(C)C(=O)N2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
TDP1 Q9NUW8 2/20 0.39
CTSG P08311 2/20 0.37
PRTN3 P24158 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8553239 0.77 MAPT (0.40) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8556687 0.76 ELANE (0.56) ELANETDP1CTSGPRTN3MAPT
SCHEMBL8555608 0.72 ELANE (0.46) ELANETDP1CTSGPRTN3MAPT
SCHEMBL8557622 0.71 ELANE (0.41) ELANETDP1CTSGPRTN3ALDH1A1
SCHEMBL8556267 0.69 ELANE (0.41) ELANETDP1CTSGPRTN3MAPT
SCHEMBL8555134 0.67 ALDH1A1 (0.37) MAPTALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL8555587 0.67 ELANE (0.54) ELANETDP1CTSGPRTN3MAPT
SCHEMBL23580135 0.67 ELANE (0.61) ELANETDP1CTSGPRTN3NPSR1
SCHEMBL29882726 0.66 ELANE (0.59) ELANETDP1CTSGPRTN3NPSR1
SCHEMBL23580631 0.66 ELANE (0.59) ELANETDP1CTSGPRTN3NPSR1

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-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed