SCHEMBL10693172

SCHEMBL10693172

CC1C(=O)NOc2cc(C(=O)C3CC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP2D6 P10635 1/20 0.38
MGLL Q99685 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 4/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GRM1 Q13255 2/20 0.36
SRD5A2 P31213 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8786824 0.78 GSK3B (0.38) TSHR
SCHEMBL10692456 0.76 GRM1 (0.38) KMT2AMEN1CYP2D6MGLLSMN1; SMN2
SCHEMBL10692526 0.75 MGLL (0.37) KMT2AMEN1CYP2D6MGLLSMN1; SMN2
SCHEMBL3238451 0.72 PGR (0.31)
SCHEMBL10691942 0.72 XDH (0.49) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL6493919 0.69 PARP1 (0.42) KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL28953638 0.65 ALDH1A1 (0.62) KMT2AMEN1CYP2D6SMN1; SMN2LMNA
SCHEMBL8895195 0.65 SMN1; SMN2 (0.64) KMT2AMEN1CYP2D6MGLLSMN1; SMN2
SCHEMBL14067799 0.65 NPSR1 (0.49) KMT2AMEN1CYP2D6MGLLSMN1; SMN2
SCHEMBL13268159 0.64 NPC1 (0.46) KMT2AMEN1CYP2D6MGLLLMNA

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-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed