SCHEMBL7964391

SCHEMBL7964391

O=C1C=CN(C(=O)c2c(I)ccc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 3/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 4/20 0.32
KDM4E B2RXH2 4/20 0.32
GLA P06280 3/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
NPC1 O15118 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
USP2 O75604 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL7960224 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNATSHRHPGD
SCHEMBL5544959 0.71 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1HPGDKDM4EUSP2
SCHEMBL3370074 0.67 HSD17B10 (0.59) ALDH1A1HSD17B10RAB9ALMNATSHR
SCHEMBL4124403 0.66 NCEH1 (0.55) ALDH1A1HSD17B10RAB9ATSHRHPGD
SCHEMBL7951898 0.66 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HSD17B10LMNAHPGD
SCHEMBL4960213 0.65 NCEH1 (0.42) ALDH1A1HSD17B10RAB9ATSHRHPGD
SCHEMBL9939750 0.63 SMN1; SMN2 (0.57) SMN1; SMN2
SCHEMBL8194166 0.63 SIRT2 (0.31) SMN1; SMN2ALDH1A1HSD17B10HPGDMAPT
SCHEMBL8025929 0.62 SMN1; SMN2 (0.51) SMN1; SMN2
SCHEMBL7951873 0.60 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1RAB9ALMNAHPGD

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
US-6211189-B1 NITRIC OXIDE SYNTHASE INHIBITORS; ANTIINFLAMMATORY AGENTS, ANALGESICS ASTRAZENECA UK LIMITED (GB) 2001-04-03 US disclosed
US-6083952-A Compounds ASTRA PHARMACEUTICALS LIMITED (GB) 2000-07-04 US disclosed
EP-1000064-A1 COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999001455-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-14 WO disclosed