SCHEMBL9536694

SCHEMBL9536694

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 3/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 3/20 0.33
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
KCNK3 O14649 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9536958 0.95 ALDH1A1 (0.38) CTDSP1ALDH1A1GAAALOX15RAB9A
SCHEMBL9538452 0.94 CTDSP1 (0.37) CTDSP1ALDH1A1GAAALOX15RAB9A
SCHEMBL9536082 0.89 ALDH1A1 (0.38) CTDSP1ALDH1A1GAAALOX15RAB9A
SCHEMBL9534636 0.88 RAB9A (0.38) CTDSP1ALDH1A1GAAALOX15RAB9A
SCHEMBL9534590 0.87 CTDSP1 (0.38) CTDSP1ALDH1A1GAAALOX15RAB9A
SCHEMBL9533656 0.87 ALDH1A1 (0.37) CTDSP1ALDH1A1GAAALOX15RAB9A
SCHEMBL9537476 0.86 CTDSP1 (0.36) CTDSP1ALDH1A1GAAALOX15RAB9A
SCHEMBL9534752 0.86 MAPK1 (0.37) CTDSP1ALDH1A1GAAALOX15RAB9A
SCHEMBL9535761 0.85 ALDH1A1 (0.40) CTDSP1ALDH1A1GAAALOX15RAB9A
SCHEMBL9538659 0.85 CTDSP1 (0.42) 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