SCHEMBL28066023

SCHEMBL28066023

CC(=O)c1ccc(N)cc1.F[B-](F)(F)F.[H+]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.48
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP19A1 P11511 1/20 0.45
HSD17B1 P14061 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
STS P08842 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL223335 0.89 MAPT (0.75) MAPTRAB9ANPC1SMN1; SMN2NOS3
SCHEMBL11646587 0.86 MAPT (0.72) MAPTRAB9ANPC1SMN1; SMN2NOS3
Hydrochloric Acid SCHEMBL4372451 0.86 MAPT (0.72) MAPTRAB9ANPC1SMN1; SMN2NOS3
Hydrochloric Acid SCHEMBL4289450 0.86 MAPT (0.72) MAPTRAB9ANPC1SMN1; SMN2NOS3
Benzidine SCHEMBL9390356 0.82 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2NOS3
SCHEMBL3790067 0.82 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2NOS3
Acetophenone SCHEMBL28341606 0.80 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2NOS3
SCHEMBL11482830 0.78 MAPT (0.62) MAPTRAB9ANPC1SMN1; SMN2NOS3
Acetophenone SCHEMBL28377473 0.77 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8533377 0.77 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2NOS3

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
CN-105461565-A Method for producing nitroacetophenone FUNING COUNTY ANQIN CHEMICAL CO LTD 2016-04-06 CN disclosed