SCHEMBL10692456

SCHEMBL10692456

CC1C(=O)[N+](C)(C)Oc2cc(C(=O)C3CC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 7/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP2D6 P10635 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MGLL Q99685 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL10693172 0.76 KMT2A (0.38) GRM1KMT2AMEN1CYP2D6NPC1
SCHEMBL10692526 0.75 MGLL (0.37) KMT2AMEN1CYP2D6NPC1RAB9A
SCHEMBL10693561 0.70 PARP1 (0.33) KMT2AMEN1LMNA
SCHEMBL8895195 0.65 SMN1; SMN2 (0.64) KMT2AMEN1CYP2D6NPC1RAB9A
SCHEMBL28953638 0.65 ALDH1A1 (0.62) KMT2AMEN1CYP2D6NPC1RAB9A
SCHEMBL14067799 0.65 NPSR1 (0.49) KMT2AMEN1CYP2D6NPC1RAB9A
SCHEMBL31280859 0.61 CES2 (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6183451 0.61 ALDH1A1 (0.61) KMT2AMEN1CYP2D6NPC1RAB9A
SCHEMBL13268159 0.61 NPC1 (0.46) KMT2AMEN1CYP2D6NPC1RAB9A
SCHEMBL15851142 0.60 MEN1 (0.49) GRM1KMT2AMEN1CYP2D6NPC1

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