SCHEMBL7962014

SCHEMBL7962014

O=C1C=CN(C(=O)c2ccncc2Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
SLC22A12 Q96S37 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HPGD P15428 1/20 0.31
SLC6A9 P48067 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7960325 0.76 SMN1; SMN2 (0.44) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL7952517 0.73 SMN1; SMN2 (0.44) SMN1; SMN2HPGDKDM4EGAA
SCHEMBL7952144 0.73 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL7951873 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HPGDKMT2AALDH1A1MAPT
SCHEMBL7961707 0.72 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL10272980 0.72 GAA (0.47) SMN1; SMN2HPGDMEN1KMT2AKDM4E
SCHEMBL22683855 0.72 GAA (0.44) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL7951898 0.70 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMEN1KMT2AKDM4E
SCHEMBL7963508 0.69 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AKDM4EALDH1A1GAA
SCHEMBL5544959 0.67 SMN1; SMN2 (0.65) SMN1; SMN2HPGDKDM4EALDH1A1L3MBTL1

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