SCHEMBL5699982

SCHEMBL5699982

CC(=O)[N]c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
STAT3 P40763 1/20 0.54
STAT1 P42224 1/20 0.54
RAB9A P51151 1/20 0.54
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
SLC22A3 O75751 1/20 0.44
PLAU P00749 1/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
CES2 O00748 2/20 0.44

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
SCHEMBL10681124 0.78 TDP1 (0.47) TDP1SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL3644220 0.78 CYP2C19 (0.43) TDP1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL163160 0.78 HTR3E (0.54) TDP1SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL834716 0.77 NOS3 (0.48) TDP1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8799204 0.76 MAPT (0.61) TDP1SMN1; SMN2NPC1MAPTMAPK1
P-Xylene SCHEMBL28214560 0.76 ALDH1A1 (0.50) TDP1SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL4770583 0.75 SMN1; SMN2 (0.44) TDP1SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL3649880 0.75 NOS3 (0.55) SMN1; SMN2NPC1MAPTRAB9AHTR3E
P-Xylene SCHEMBL5526703 0.74 TDP1 (0.61) TDP1SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL10509447 0.73 PLG (0.43) SMN1; SMN2ALDH1A1CYP2D6CYP2C9HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146037-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO (JP) 2006-06-21 EP disclosed
US-6410749-B1 REACTING A CARBONYL COMPOUND WITH ORGANOMETALLIC COMPOUND NIPPON SODA CO., LTD. (JP) 2002-06-25 US disclosed
EP-1146037-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO., LTD. (JP) 2001-10-17 EP disclosed
US-4167511-A ACTIVE HYDROGENS ON NITROGEN, OXYGEN AND SULFUR DOW CORNING CORPORATION (US) 1979-09-11 US disclosed
US-4104295-A Methylsilacyclopentenyl-containing silylating agents and method therefor DOW CORNING CORPORATION (US) 1978-08-01 US disclosed