SCHEMBL9538796

SCHEMBL9538796

Cc1c(Br)c(=O)c(C(=O)O)c2n1CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.36
GAA P10253 3/20 0.35
ALOX15 P16050 1/20 0.35
CTDSP1 Q9GZU7 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 3/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
PRNP P04156 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30

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
SCHEMBL9537605 0.85 MAPK1 (0.61) MAPK1ALDH1A1KMT2AGAAALOX15
SCHEMBL9534524 0.74 CTDSP1 (0.42) ALDH1A1KMT2AGAAALOX15CTDSP1
SCHEMBL9535621 0.74 CTDSP1 (0.42) ALDH1A1KMT2AGAAALOX15CTDSP1
SCHEMBL9536958 0.74 ALDH1A1 (0.38) MAPK1ALDH1A1GAAALOX15CTDSP1
SCHEMBL9536082 0.74 ALDH1A1 (0.38) MAPK1ALDH1A1KMT2AGAAALOX15
SCHEMBL9538659 0.74 CTDSP1 (0.42) ALDH1A1KMT2AGAAALOX15CTDSP1
SCHEMBL9535337 0.74 ALDH1A1 (0.38) MAPK1KDM4EALDH1A1KMT2AGAA
SCHEMBL9535716 0.73 ALDH1A1 (0.38) MAPK1KDM4EALDH1A1KMT2AGAA
SCHEMBL9533656 0.73 ALDH1A1 (0.37) MAPK1ALDH1A1GAAALOX15CTDSP1
SCHEMBL9538452 0.72 CTDSP1 (0.37) MAPK1ALDH1A1GAAALOX15CTDSP1

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