SCHEMBL8553239

SCHEMBL8553239

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
TP53 P04637 3/20 0.40
CHRM5 P08912 1/20 0.38
CASP3 P42574 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ALDH2 P05091 1/20 0.37
CHRM1 P11229 1/20 0.37
CES1 P23141 1/20 0.37
ALDH3A1 P30838 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MGLL Q99685 1/20 0.36
EP300 Q09472 1/20 0.36
ENPP2 Q13822 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8553103 0.77 ELANE (0.47) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11204052 0.75 CHRM5 (0.48) MAPTTP53CHRM5CASP3ALDH1A1
SCHEMBL11195741 0.70 KMT2A (0.47) MAPTCHRM5CASP3ALDH1A1ALDH2
SCHEMBL7306464 0.68 MAPT (0.40) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL29771458 0.66 PTPRC (0.57) MAPTCASP3ALDH1A1KMT2AMEN1
SCHEMBL5907211 0.64 MAPK14 (0.53) MAPTALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL9094970 0.64 DRD2 (0.48) ALDH1A1ALDH3A1LMNA
SCHEMBL16521765 0.64 CHRM5 (0.67) MAPTTP53CHRM5CASP3ALDH1A1
SCHEMBL10660835 0.63 KDM4E (0.45) MAPTALDH1A1
SCHEMBL4653563 0.63 MAPK1 (0.51) MAPTALDH1A1KMT2AMEN1LMNA

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