SCHEMBL9537335

SCHEMBL9537335

CCc1cc(C#N)cc(CC)c1NC(=O)c1c2n(c(C)c(Br)c1=O)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
CTDSP1 Q9GZU7 2/20 0.36
PTGS2 P35354 5/20 0.34
PTGS1 P23219 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
KCNK3 O14649 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
SLC10A1 Q14973 1/20 0.32
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL9534636 0.89 RAB9A (0.38) TP53CTDSP1ALDH1A1GAAALOX15
SCHEMBL9538452 0.89 CTDSP1 (0.37) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9536082 0.88 ALDH1A1 (0.38) TP53CTDSP1ALDH1A1GAAALOX15
SCHEMBL9536958 0.88 ALDH1A1 (0.38) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9537476 0.87 CTDSP1 (0.36) TP53CTDSP1ALDH1A1GAAALOX15
SCHEMBL9534752 0.87 MAPK1 (0.37) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9533656 0.86 ALDH1A1 (0.37) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9534944 0.85 ALDH1A1 (0.39) TP53CTDSP1ALDH1A1GAAALOX15
SCHEMBL9536103 0.85 CTDSP1 (0.41) TP53CTDSP1ALDH1A1GAAALOX15
SCHEMBL9535761 0.85 ALDH1A1 (0.40) TP53CTDSP1ALDH1A1GAAALOX15

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-0312019-B1 CONDENSED HETEROCYCLIC COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND A HERBICIDAL COMPOSITION THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-04 EP disclosed
US-4936121-A Condensed heterocyclic compounds, a process for preparing the same and a herbicidal composition thereof DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1990-06-26 US disclosed
EP-0312019-A2 Condensed heterocyclic compounds, a process for preparing the same and a herbicidal composition thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-19 EP disclosed