SCHEMBL8744700

SCHEMBL8744700

CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.71
▸ TP53 P04637 4/20 0.71
▸ LMNA P02545 1/20 0.71
▸ THRB P10828 1/20 0.71
▸ MMP2 P08253 1/20 0.58
▸ MMP3 P08254 1/20 0.58
▸ TACR1 P25103 8/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ HCRTR1 O43613 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ITGB2 P05107 1/20 0.56
▸ ICAM1 P05362 1/20 0.56
▸ ITGAL P20701 1/20 0.56
▸ P2RY14 Q15391 1/20 0.54
▸ POLB P06746 1/20 0.54

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
SCHEMBL9595504 1.00 MAPT (0.71) MAPTTP53LMNATHRBMMP2
SCHEMBL8744780 0.87 ITGB2 (0.66) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL8744772 0.87 ITGB2 (0.66) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL9595246 0.87 MAPT (0.67) MAPTTP53LMNATHRBMMP2
SCHEMBL8744739 0.87 MAPT (0.67) MAPTTP53LMNATHRBMMP2
SCHEMBL22206815 0.85 MAPT (0.70) MAPTTP53LMNATHRBMMP2
SCHEMBL22206817 0.85 MAPT (0.70) MAPTTP53LMNATHRBMMP2
SCHEMBL30592150 0.85 MAPT (0.70) MAPTTP53LMNATHRBMMP2
SCHEMBL850315 0.82 TACR1 (0.74) MAPTTP53LMNATHRBMMP2
SCHEMBL3185689 0.82 TACR1 (0.74) MAPTTP53LMNATHRBMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 — — EP disclosed
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 — — US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 — — EP disclosed
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