SCHEMBL7417982

SCHEMBL7417982

CC(C)C(NC(=O)CN1C(=O)c2ccccc2C1=O)C(O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL7417012 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL1171415 0.75 KMT2A (0.69) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL1171410 0.75 KMT2A (0.69) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL30611213 0.74 KMT2A (0.68) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL29045884 0.74 KMT2A (0.68) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL29045872 0.74 KMT2A (0.68) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL7273959 0.73 ELANE (0.70) KMT2AMEN1ALDH1A1HTT
SCHEMBL7283320 0.71 ELANE (0.69)
SCHEMBL9173331 0.70 KMT2A (0.52) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL23961083 0.70 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1NPSR1KDM4E

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-5532366-A Heterocyclic amides ZENECA LIMITED (GB) 1996-07-02 US disclosed
EP-0649432-A1 FLUORINE COMPRISING DIPEPTIDES AS INHIBITORS AGAINST HUMAN LEUCOCYTE ELASTASE INHIBITORS ZENECA LIMITED (GB) 1995-04-26 EP disclosed
WO-1994001455-A1 FLUORINE COMPRISING DIPEPTIDES AS INHIBITORS AGAINST HUMAN LEUCOCYTE ELASTASE INHIBITORS ZENECA LIMITED (GB) 1994-01-20 WO disclosed