SCHEMBL10915546

SCHEMBL10915546

COc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(N)=O)CC2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ ALDH1A1 P00352 7/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ LMNA P02545 1/20 0.52

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
SCHEMBL10913488 0.91 KMT2A (0.60) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL10914090 0.89 KMT2A (0.58) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL10975714 0.84 KDM4E (0.51) KDM4ETSHRMAPK1HSD17B10ALDH1A1
SCHEMBL10911236 0.84 KMT2A (0.59) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL10911705 0.84 ALDH1A1 (0.63) KDM4ETSHRMAPK1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL10914663 0.83 ALDH1A1 (0.62) KDM4ETSHRMAPK1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL10911309 0.83 CHEK1 (0.58) KDM4ETSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL10914273 0.82 ALDH1A1 (0.61) KDM4ETSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL31520487 0.80 MEN1 (0.68) KDM4ETSHRALDH1A1CYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL10911285 0.80 TSHR (0.56) KDM4ETSHRMAPK1HSD17B10ALDH1A1

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
US-4585774-A Aniline derivatives and cardiotonic composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 — — US disclosed
EP-0064878-B1 NOVEL ANILINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CARDIOTONIC COMPOSITIONS CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-07-24 — — EP disclosed
EP-0064878-A1 Novel aniline derivatives, process for preparing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-11-17 — — EP disclosed
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