SCHEMBL11526469

SCHEMBL11526469

O=C(CCCON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)ONCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
TBXAS1 P24557 7/20 0.43
TBXA2R P21731 8/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 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
SCHEMBL15656106 0.78 MEN1 (0.53) MAPT
Benzylamine SCHEMBL11526467 0.78 TBXA2R (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28239404 0.75 GAA (0.55)
SCHEMBL21611670 0.72 STING1 (0.54) HTT
SCHEMBL8842303 0.71 MEN1 (0.49) MAPT
SCHEMBL8905338 0.70 EPHX2 (0.56) L3MBTL1HPGD
SCHEMBL10892857 0.70 TBXA2R (0.74) TBXAS1TBXA2RPPARA
Hydrochloric Acid SCHEMBL8843485 0.70 MEN1 (0.47)
SCHEMBL8843381 0.70 MEN1 (0.73) HTT
SCHEMBL27653287 0.69 L3MBTL1 (0.48) L3MBTL1HTTMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4176194-A ANTIINFLAMMATORY AGENTS; ANALGESICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-11-27 US disclosed