SCHEMBL7951898

SCHEMBL7951898

O=C1C=CN(C(=O)c2c(Cl)cccc2Br)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RORC P51449 1/20 0.35
SPR P35270 1/20 0.34
CXCR2 P25025 1/20 0.34
ALDH1A1 P00352 3/20 0.34
P2RX7 Q99572 1/20 0.34
MAPK14 Q16539 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
F2R P25116 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL7951873 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HPGDNPC1GLAKMT2A
SCHEMBL7952517 0.73 SMN1; SMN2 (0.44) SMN1; SMN2HPGDNPC1KDM4EP2RX7
SCHEMBL7962014 0.70 SMN1; SMN2 (0.44) SMN1; SMN2HPGDMEN1KMT2AKDM4E
SCHEMBL7960224 0.70 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL5544959 0.70 SMN1; SMN2 (0.65) SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL7964391 0.66 SMN1; SMN2 (0.51) SMN1; SMN2HPGDNPC1GLAMEN1
SCHEMBL7446407 0.65 HPGD (0.69) SMN1; SMN2HPGDNPC1GLAMEN1
SCHEMBL9939750 0.65 SMN1; SMN2 (0.57) SMN1; SMN2
SCHEMBL696250 0.65 ALDH1A1 (0.52) HPGDNPC1GLAKMT2AKDM4E
SCHEMBL2844436 0.65 ALDH1A1 (0.71) HPGDNPC1GLAMEN1KMT2A

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