SCHEMBL7614040

SCHEMBL7614040

CC(C)(C)ONC(=O)c1ccc(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BACE1 P56817 3/20 0.41
CYP2D6 P10635 1/20 0.41
GRM5 P41594 1/20 0.40
HTR1F P30939 1/20 0.39
P4HTM Q9NXG6 2/20 0.39
GRM4 Q14833 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRA6 Q16445 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL7341097 0.81 KDM4E (0.50) NPC1ALDH1A1RAB9ABACE1BACE2
SCHEMBL6419679 0.79 ANO1 (0.47) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL29503927 0.79 ANO1 (0.47) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL12579446 0.78 TRPA1 (0.44) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL108305 0.76 P2RX7 (0.50) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL428478 0.76 NPC1 (0.49) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL31723056 0.76 GABRG2 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19249270 0.76 GRM5 (0.55) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL6417995 0.74 CNR2 (0.61)
SCHEMBL424744 0.73 MAPK1 (0.65) NPC1ALDH1A1GAARAB9ASMN1; SMN2

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-6384033-B1 DRUGS FOR VISION DEFECTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-07 US disclosed