SCHEMBL10913783

SCHEMBL10913783

COC(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ ALDH1A1 P00352 8/20 0.64
▸ ALOX15 P16050 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ USP2 O75604 1/20 0.60
▸ TSHR P16473 3/20 0.58
▸ HTT P42858 2/20 0.58
▸ LMNA P02545 2/20 0.57
▸ MAPT P10636 3/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54

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 SCHEMBL10915432 0.99 KMT2A (0.69) KMT2AMEN1ALDH1A1ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL10911419 0.90 KMT2A (0.69) KMT2AMEN1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL10912500 0.90 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL10915293 0.89 KMT2A (0.68) KMT2AMEN1ALDH1A1ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL10911607 0.89 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL10914654 0.87 KMT2A (0.65) KMT2AMEN1ALDH1A1ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL10914832 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL10911705 0.83 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL10914663 0.83 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10980799 0.82 KMT2A (0.59) KMT2AMEN1ALDH1A1ALOX15SMN1; SMN2

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 6 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
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 claimed
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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