SCHEMBL9536958

SCHEMBL9536958

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
GAA P10253 4/20 0.38
ALOX15 P16050 1/20 0.38
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 3/20 0.35
PKM P14618 1/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
KCNK3 O14649 2/20 0.32
MAPT P10636 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
SCHEMBL9538452 0.99 CTDSP1 (0.37) ALDH1A1CTDSP1GAAALOX15PDE3B
SCHEMBL9536694 0.95 CTDSP1 (0.37) ALDH1A1CTDSP1GAAALOX15PDE3B
SCHEMBL9536082 0.94 ALDH1A1 (0.38) ALDH1A1CTDSP1GAAALOX15PDE3B
SCHEMBL9534636 0.93 RAB9A (0.38) ALDH1A1CTDSP1GAAALOX15PDE3B
SCHEMBL9533656 0.92 ALDH1A1 (0.37) ALDH1A1CTDSP1GAAALOX15PDE3B
SCHEMBL9534752 0.91 MAPK1 (0.37) ALDH1A1CTDSP1GAAALOX15PDE3B
SCHEMBL9537476 0.91 CTDSP1 (0.36) ALDH1A1CTDSP1GAAALOX15PDE3B
SCHEMBL9535761 0.90 ALDH1A1 (0.40) ALDH1A1CTDSP1GAAALOX15PDE3B
SCHEMBL9538659 0.90 CTDSP1 (0.42) ALDH1A1CTDSP1GAAALOX15TSHR
SCHEMBL9534524 0.90 CTDSP1 (0.42) ALDH1A1CTDSP1GAAALOX15TSHR

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