SCHEMBL9537605

SCHEMBL9537605

COC(=O)c1c2n(c(C)c(Br)c1=O)CCCCC2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.61
ALDH1A1 P00352 8/20 0.56
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 3/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.34
ABCC1 P33527 1/20 0.34

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
SCHEMBL9538796 0.85 MAPK1 (0.43) MAPK1ALDH1A1LMNAHTTTDP1
SCHEMBL10338822 0.85 MAPK1 (0.66) MAPK1ALDH1A1LMNAHTTTDP1
SCHEMBL25529239 0.77 MAPK1 (0.43) MAPK1ALDH1A1KMT2AMEN1ALOX15
SCHEMBL9535761 0.75 ALDH1A1 (0.40) MAPK1ALDH1A1LMNAKMT2AGAA
SCHEMBL9534062 0.74 ALDH1A1 (0.43) MAPK1ALDH1A1GAAALOX15SMN1; SMN2
SCHEMBL10338831 0.74 ALDH1A1 (0.65) MAPK1ALDH1A1LMNAHTTTDP1
SCHEMBL9534944 0.74 ALDH1A1 (0.39) MAPK1ALDH1A1LMNAKMT2AGAA
SCHEMBL9535337 0.74 ALDH1A1 (0.38) MAPK1ALDH1A1HTTTDP1KMT2A
SCHEMBL9536082 0.74 ALDH1A1 (0.38) MAPK1ALDH1A1KMT2AMEN1GAA
SCHEMBL9536958 0.74 ALDH1A1 (0.38) MAPK1ALDH1A1HTTGAAALOX15

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