SCHEMBL10503546

SCHEMBL10503546

CCOP(=O)(Cc1noc(-c2ccccc2)n1)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
NOTUM Q6P988 1/20 0.51
HDAC6 Q9UBN7 3/20 0.45
LMNA P02545 1/20 0.45
NR1H4 Q96RI1 2/20 0.42
SMPD1 P17405 1/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 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
SCHEMBL29915489 0.85 SMPD1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL10247668 0.84 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL10247672 0.82 L3MBTL1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10247596 0.82 ALDH1A1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7958952 0.81 NPC1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10247598 0.80 RAB9A (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10250868 0.79 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10475793 0.78 NOTUM (0.63) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL91656 0.75 SMN1; SMN2 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9863391 0.75 NOTUM (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0123378-B1 1-NORMONYL DERIVATIVES, PROCESSES AND USE BEECHAM GROUP PLC (GB) 1989-09-06 EP disclosed
US-4861788-A FUNGICIDE, BACTERICIDE BEECHAM GROUP PLC (GB) 1989-08-29 US disclosed
EP-0123378-A2 1-Normonyl derivatives, processes and use BEECHAM GROUP PLC (GB) 1984-10-31 EP disclosed