SCHEMBL8557250

SCHEMBL8557250

CCCc1ccc(O)c2c1N(Cc1ccccc1)C(=O)C2(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.51
NPSR1 Q6W5P4 1/20 0.41
CTSG P08311 2/20 0.40
PRTN3 P24158 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
RGS12 O14924 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
CYP2C19 P33261 3/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
CMA1 P23946 1/20 0.36
CTRC Q99895 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL8553469 0.93 ELANE (0.49) ELANENPSR1CTSGPRTN3TDP1
SCHEMBL8558518 0.92 ELANE (0.48) ELANENPSR1CTSGPRTN3TDP1
SCHEMBL8556687 0.82 ELANE (0.56) ELANENPSR1CTSGPRTN3TDP1
SCHEMBL8960950 0.79 PRKCI (0.37) ELANECTSGLMNAALDH1A1GAA
SCHEMBL8555587 0.75 ELANE (0.54) ELANENPSR1CTSGPRTN3TDP1
SCHEMBL8960633 0.71 TYR (0.37) ELANECTSGTDP1MEN1KMT2A
SCHEMBL23580135 0.70 ELANE (0.61) ELANENPSR1CTSGPRTN3TDP1
SCHEMBL29882726 0.69 ELANE (0.59) ELANENPSR1CTSGPRTN3TDP1
SCHEMBL23580631 0.69 ELANE (0.59) ELANENPSR1CTSGPRTN3TDP1
SCHEMBL8555608 0.67 ELANE (0.46) ELANENPSR1CTSGPRTN3TDP1

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