SCHEMBL11428526

SCHEMBL11428526

CC(=O)Oc1cc(S(=O)(=O)O)c2ccccc2c1NC(=O)c1cc(C)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ MPL P40238 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SUMO2 P61956 1/20 0.35
▸ SUMO1 P63165 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP3 Q9H4L4 1/20 0.35
▸ SENP2 Q9HC62 1/20 0.35
▸ SENP1 Q9P0U3 1/20 0.35
▸ MRGPRX1 Q96LB2 1/20 0.35
▸ DDX3X O00571 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL11425022 0.92 KDM4E (0.36) KDM4EKMT2AMEN1HTTMAPT
SCHEMBL11430473 0.86 KMT2A (0.44) KDM4EKMT2AMEN1HTTMAPT
SCHEMBL11422158 0.84 KMT2A (0.44) KDM4EKMT2AMEN1HTTMAPT
SCHEMBL11438814 0.84 MPL (0.46) KDM4EKMT2AMEN1HTTMAPT
SCHEMBL11428520 0.84 TOP1 (0.42) KMT2AMEN1HTTMAPTNPC1
Acetic Acid SCHEMBL11428528 0.83 MPL (0.43) KDM4EKMT2AMEN1HTTMAPT
SCHEMBL11425015 0.82 TOP1 (0.42) KMT2AMEN1HTTMAPTNPC1
SCHEMBL11434112 0.81 TOP1 (0.43) KMT2AMEN1HTTMAPTMPL
SCHEMBL11438825 0.80 MEN1 (0.41) KDM4EKMT2AMEN1HTTMAPT
SCHEMBL11426044 0.79 ALDH1A1 (0.46) KDM4EKMT2AMEN1HTTNPC1

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
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
Send feedback