SCHEMBL10914852

SCHEMBL10914852

COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C#N)CC2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ KMT2A Q03164 8/20 0.57
▸ MEN1 O00255 6/20 0.57
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ PDE5A O76074 1/20 0.52
▸ PDE1A P54750 1/20 0.52
▸ PDE1B Q01064 1/20 0.52
▸ PDE1C Q14123 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50

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
Oxalic Acid SCHEMBL10914677 0.97 ALDH1A1 (0.60) ALDH1A1KDM4EKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL10914090 0.85 KMT2A (0.58) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL10913488 0.85 KMT2A (0.60) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL10915151 0.85 KMT2A (0.60) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL10911236 0.84 KMT2A (0.59) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL10911705 0.84 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL10913625 0.84 KMT2A (0.59) ALDH1A1KDM4EKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL10914663 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL10911309 0.83 CHEK1 (0.58) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
Oxalic Acid SCHEMBL10913836 0.83 KMT2A (0.59) ALDH1A1KDM4EKMT2AMEN1LMNA

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 2 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
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