SCHEMBL10980799

SCHEMBL10980799

COc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(SC)c3)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ STAT3 P40763 1/20 0.58
▸ ALDH1A1 P00352 7/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP2C19 P33261 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ MAPK1 P28482 1/20 0.48

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 SCHEMBL10914862 0.99 KMT2A (0.58) KMT2AMEN1SMN1; SMN2STAT3ALDH1A1
SCHEMBL10912500 0.86 ALDH1A1 (0.62) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10911607 0.85 ALDH1A1 (0.61) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Oxalic Acid SCHEMBL10914704 0.84 KMT2A (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10913783 0.82 KMT2A (0.71) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10915432 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10911419 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10914832 0.81 KMT2A (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10915293 0.80 KMT2A (0.68) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10914654 0.78 KMT2A (0.65) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback