SCHEMBL9534590

SCHEMBL9534590

CCc1cc(Br)c(Br)c(CC)c1NC(=O)c1c2n(c(C)c(Br)c1=O)CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.35
KCNK3 O14649 10/20 0.34
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL9536331 0.89 CTDSP1 (0.38) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9536958 0.88 ALDH1A1 (0.38) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9536082 0.88 ALDH1A1 (0.38) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9536694 0.87 CTDSP1 (0.37) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9534636 0.87 RAB9A (0.38) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9538452 0.87 CTDSP1 (0.37) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9533656 0.86 ALDH1A1 (0.37) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9537476 0.85 CTDSP1 (0.36) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9534752 0.85 MAPK1 (0.37) CTDSP1ALDH1A1GAAALOX15TSHR
SCHEMBL9534042 0.85 CTDSP1 (0.37) CTDSP1ALDH1A1GAAALOX15TSHR

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 claimed
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 claimed
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 claimed