SCHEMBL28030880

SCHEMBL28030880

O=[N+]([O-])c1ccc2c(ccn2F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
CYP19A1 P11511 1/20 0.44
GLS O94925 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
KRAS P01116 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
NOS1 P29475 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
CDC7 O00311 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL257518 0.79 SLC6A2 (0.49) SLC6A2CYP19A1GLSALDH1A1MAPT
SCHEMBL28281973 0.79 SLC6A2 (0.51) SLC6A2CYP19A1GLSALDH1A1MAPT
SCHEMBL28142780 0.79 SLC6A2 (0.51) SLC6A2CYP19A1GLSALDH1A1MAPT
SCHEMBL3218015 0.79 SLC6A2 (0.51) SLC6A2CYP19A1GLSALDH1A1MAPT
SCHEMBL1098394 0.79 CYP19A1 (0.51) SLC6A2CYP19A1GLSALDH1A1MAPT
SCHEMBL3224421 0.79 SLC6A2 (0.51) SLC6A2CYP19A1GLSALDH1A1MAPT
SCHEMBL31036030 0.78 SLC6A2 (0.48) SLC6A2CYP19A1GLSALDH1A1HIF1A
SCHEMBL28910295 0.76 SLC6A2 (0.49) SLC6A2CYP19A1GLSALDH1A1MAPT
SCHEMBL30672928 0.76 PLG (0.46) SLC6A2CYP19A1GLSMAPTKRAS
SCHEMBL16371052 0.76 PLG (0.46) SLC6A2CYP19A1GLSMAPTKRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 CN disclosed
CN-108349930-A Substituted Tricycles and Methods of Use 艾伯维公司 2018-07-31 CN disclosed
CN-108117546-A ATP-binding cassette transport protein conditioning agent 弗特克斯药品有限公司 2018-06-05 CN disclosed
CN-104870422-A Novel amine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-08-26 CN disclosed