SCHEMBL9453330

SCHEMBL9453330

NC(=O)c1ccc(O)[n+](Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
PARP10 Q53GL7 3/20 0.44
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSP90AA1 P07900 3/20 0.40
NNMT P40261 1/20 0.38
ACHE P22303 1/20 0.37

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
Iodide SCHEMBL11267640 0.83 NPC1 (0.59) NPC1L3MBTL1NPSR1PLA2G10PLA2G2A
SCHEMBL30056154 0.72 L3MBTL1 (0.97) NPC1L3MBTL1NPSR1PLA2G10PLA2G2A
SCHEMBL1982654 0.72 L3MBTL1 (0.97) NPC1L3MBTL1NPSR1PLA2G10PLA2G2A
Bromide SCHEMBL3072258 0.71 NPSR1 (0.94) NPC1L3MBTL1NPSR1MAPTHSP90AA1
Iodide SCHEMBL15899403 0.71 L3MBTL1 (1.00) NPC1L3MBTL1NPSR1TSHRHSD17B10
Hydrochloric Acid SCHEMBL34474900 0.71 L3MBTL1 (0.94) L3MBTL1NPSR1TSHRHSD17B10POLB
Hydrochloric Acid SCHEMBL1527128 0.71 L3MBTL1 (0.94) L3MBTL1NPSR1TSHRHSD17B10POLB
SCHEMBL9322045 0.69 MEN1 (0.55) NPC1TSHRCYP3A4MAPTHSP90AA1
Hydrochloric Acid SCHEMBL34474399 0.68 L3MBTL1 (0.64) L3MBTL1NPSR1PLA2G10PLA2G2APARP10
Iodide SCHEMBL8728732 0.68 L3MBTL1 (0.69) L3MBTL1NPSR1PLA2G10PLA2G2APARP10

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-5190852-A Diffusion transfer FUJI PHOTO FILM CO., LTD. (JP) 1993-03-02 US disclosed