SCHEMBL9504899

SCHEMBL9504899

Nc1cccc(C(=O)CCC=C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.45
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 2/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
F10 P00742 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL9503703 0.76 PBRM1 (0.46) PBRM1NPC1MITFLMNAPOLB
SCHEMBL13622519 0.76 F2 (0.53) PBRM1NPC1MITFLMNAPOLB
SCHEMBL1538686 0.75 PBRM1 (0.52) PBRM1NPC1MITFLMNAPOLB
SCHEMBL27324757 0.75 PBRM1 (0.52) PBRM1NPC1MITFLMNAPOLB
SCHEMBL10005649 0.75 NR4A2 (0.62) PBRM1NPC1MITFLMNAPOLB
SCHEMBL655728 0.75 PBRM1 (0.52) PBRM1NPC1MITFLMNAPOLB
SCHEMBL28359889 0.74 PBRM1 (0.59) PBRM1NPC1MITFLMNAPOLB
SCHEMBL633209 0.72 PBRM1 (0.57) PBRM1NPC1MITFLMNAPOLB
SCHEMBL3373649 0.72 PBRM1 (0.57) PBRM1NPC1MITFLMNAPOLB
SCHEMBL5033087 0.71 PBRM1 (0.52) PBRM1NPC1MITFLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395991-B1 3-AMINOPHENYL-1,5-PENTANEDIONES BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
EP-0395991-A1 3-Aminophenyl-1,5-pentanediones BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed