SCHEMBL9496161

SCHEMBL9496161

CC(=O)Nc1ccc(OC2=C(Oc3ccc(NC(C)=O)cc3)C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
CYP1A2 P05177 1/20 0.50
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 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
SCHEMBL6516221 0.80 KMT2A (0.73) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL31403412 0.77 MEN1 (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL14384682 0.76 KMT2A (0.66) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL18103151 0.76 ALDH1A1 (0.68) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL18826484 0.75 KMT2A (0.66) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL9500742 0.75 CA1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL14384396 0.74 MTNR1A (0.76) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL171438 0.74 HPGD (0.71) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL14192610 0.74 KMT2A (0.63) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL5612841 0.74 TDP1 (0.77) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1

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
EP-0343441-B1 FLUORINATED BIS-ARYLOXY-SUBSTITUTED ALKENES, METHOD FOR THEIR PRODUCTION AN THEIR APPLICATION BAYER AG (DE) 1993-03-24 EP disclosed
US-4990633-A Used as insulating agents BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0343441-A2 Fluorinated bis-aryloxy-substituted alkenes, method for their production an their application BAYER AG (DE) 1989-11-29 EP disclosed