SCHEMBL10911705

SCHEMBL10911705

COC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.63
▸ MAPK10 P53779 2/20 0.63
▸ KDM4E B2RXH2 4/20 0.60
▸ KMT2A Q03164 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ TSHR P16473 5/20 0.59
▸ TP53 P04637 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.53
▸ PRMT5 O14744 1/20 0.53
▸ WDR77 Q9BQA1 1/20 0.53

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
Hydrochloric Acid SCHEMBL10914663 0.99 ALDH1A1 (0.62) ALDH1A1MAPK10KDM4EKMT2AMEN1
SCHEMBL10913488 0.93 KMT2A (0.60) ALDH1A1MAPK10KDM4EKMT2AMEN1
SCHEMBL10911236 0.92 KMT2A (0.59) ALDH1A1MAPK10KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL10911309 0.91 CHEK1 (0.58) ALDH1A1MAPK10KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL10914090 0.91 KMT2A (0.58) ALDH1A1MAPK10KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL10911285 0.88 TSHR (0.56) ALDH1A1MAPK10KDM4EKMT2AMEN1
SCHEMBL10914004 0.88 KMT2A (0.54) ALDH1A1MAPK10KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL10915151 0.87 KMT2A (0.60) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL10915124 0.87 ALDH1A1 (0.67) ALDH1A1MAPK10KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL10913625 0.86 KMT2A (0.59) ALDH1A1KDM4EKMT2AMEN1TP53

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 9 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 claimed
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 claimed
JP-58079986-A — — None — — JP disclosed
JP-57185273-A — — None — — JP disclosed
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
JP-S5879986-A ANILINE DERIVATIVE OTSUKA PHARMACEUT CO LTD 1983-05-13 — — JP 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
JP-S57185273-A ANILINE DERIVATIVE OTSUKA PHARMACEUT CO LTD 1982-11-15 — — JP disclosed
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