SCHEMBL8558333

SCHEMBL8558333

Cc1cc(C/C=C/CO)c(O)c2c1N(Cc1ccccc1)C(=O)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.44
TDP1 Q9NUW8 2/20 0.38
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
CTSG P08311 2/20 0.35
PRTN3 P24158 1/20 0.35
PGR P06401 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
AMPD2 Q01433 1/20 0.32
TP53 P04637 2/20 0.32
CYP2D6 P10635 2/20 0.32

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
SCHEMBL8558336 1.00 ELANE (0.44) ELANETDP1EP300CREBBPCTSG
SCHEMBL8555608 0.87 ELANE (0.46) ELANETDP1EP300CREBBPCTSG
SCHEMBL8556687 0.74 ELANE (0.56) ELANETDP1EP300CREBBPCTSG
SCHEMBL8556423 0.73 ELANE (0.38) ELANETDP1NPSR1HTTSMN1; SMN2
SCHEMBL8557622 0.73 ELANE (0.41) ELANETDP1EP300CREBBPCTSG
SCHEMBL8555587 0.72 ELANE (0.54) ELANETDP1EP300CREBBPCTSG
SCHEMBL8559665 0.68 PDK2 (0.33)
SCHEMBL8558503 0.67 ELANE (0.41) ELANETDP1CTSGPRTN3PGR
SCHEMBL8557250 0.65 ELANE (0.51) ELANETDP1CTSGPRTN3PGR
SCHEMBL8556267 0.65 ELANE (0.41) ELANETDP1CTSGPRTN3PGR

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