SCHEMBL8327419

SCHEMBL8327419

O=C(OC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NT5E P21589 8/20 0.52
ADORA3 P0DMS8 5/20 0.51
ADORA2A P29274 4/20 0.51
ADORA1 P30542 4/20 0.51
ADORA2B P29275 3/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
P2RX3 P56373 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX2 Q9UBL9 1/20 0.47

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
SCHEMBL8326734 0.89 ALDH1A1 (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL10689750 0.88 ADORA2A (0.59) LMNAADORA3ADORA2AADORA1ADORA2B
SCHEMBL9404265 0.87 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8909878 0.87 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL23436497 0.87 LMNA (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL15679138 0.87 LMNA (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8818839 0.87 LMNA (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8819182 0.86 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9404051 0.86 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL9080632 0.85 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTTDP1

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-5925624-A ANTIINFLAMMATORY AGENTS TREATING PATIENTS WITH INFLAMMATORY CONDITIONS SUSCEPTIBLE TO LEUKOCYTE-INDUCED TISSUE DAMAGE GLAXO GROUP LIMITED (GB) 1999-07-20 US disclosed
US-5889178-A N-(2,2-DIPHENYLETHYL)-DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-30 US disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
WO-1996002553-A2 AMINO PURINE-β-D-RIBOFURANURONAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 1996-02-01 WO disclosed