SCHEMBL9848202

SCHEMBL9848202

C=CN=CCCC(=O)c1cc(-c2ccc(OC)cc2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
CYP1A2 P05177 1/20 0.45
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CSGALNACT1 Q8TDX6 1/20 0.41
USP30 Q70CQ3 2/20 0.41
PRMT5 O14744 1/20 0.41
PTPN1 P18031 2/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL8880593 0.78 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL9848194 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL2730319 0.73 SMN1; SMN2 (0.67) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL3981454 0.72 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL3055067 0.72 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL2724085 0.72 SMN1; SMN2 (0.66) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL4430875 0.71 SMN1; SMN2 (0.69) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL11972337 0.70 RAB9A (0.57) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL9848162 0.69 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL15774486 0.67 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ERAB9AMEN1KMT2A

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-0414391-A2 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-02-27 EP disclosed