SCHEMBL6587632

SCHEMBL6587632

O=C(NCc1ccccc1)C(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MMP8 P22894 2/20 0.57
GAA P10253 1/20 0.53
TSHR P16473 2/20 0.53
MME P08473 1/20 0.53
MEN1 O00255 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51

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
SCHEMBL28733091 0.85 KMT2A (0.54) KMT2AMMP8GAATSHRMME
SCHEMBL2268621 0.85 KMT2A (0.54) KMT2AMMP8GAATSHRMME
SCHEMBL28975453 0.85 MMP8 (0.58) KMT2AMMP8GAATSHRMME
SCHEMBL6522964 0.82 KMT2A (0.59) KMT2AMMP8GAATSHRMME
SCHEMBL714385 0.82 KMT2A (0.59) KMT2AMMP8GAATSHRMME
SCHEMBL714386 0.82 KMT2A (0.59) KMT2AMMP8GAATSHRMME
SCHEMBL3755675 0.81 KMT2A (0.61) KMT2AGAAMEN1ALDH1A1
SCHEMBL3755673 0.81 KMT2A (0.41) KMT2AMMP8GAAMEN1CA1
SCHEMBL3750431 0.81 KMT2A (0.39) KMT2AMMP8GAAMMEMEN1
SCHEMBL13073740 0.81 POLB (0.59) KMT2ATSHRMEN1CYP2D6CYP2C9

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-6835714-B1 Heterocyclic compounds, intermediates thereof and elastase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-28 US disclosed
EP-1157998-B1 HETEROCYCLIC COMPOUNDS, INTERMEDIATES THEREOF AND ELASTASE INHIBITORS DAINIPPON PHARMACEUTICAL CO (JP) 2004-02-11 EP disclosed
EP-1157998-A1 HETEROCYCLIC COMPOUNDS, INTERMEDIATES THEREOF AND ELASTASE INHIBITORS Dainippon Pharmaceutical Co., Ltd. (JP) 2001-11-28 EP disclosed