SCHEMBL9535595

SCHEMBL9535595

CCc1cccc(OC)c1NC(=O)c1c2n(c(C)c(Br)c1=O)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MAPK1 P28482 1/20 0.36
LDHA P00338 1/20 0.36
S1PR4 O95977 1/20 0.35
RORC P51449 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL9536103 0.91 CTDSP1 (0.41) GAAMAPTCTDSP1MAPK1TP53
SCHEMBL9538659 0.90 CTDSP1 (0.42) GAAKMT2AMEN1CTDSP1TP53
SCHEMBL9534524 0.90 CTDSP1 (0.42) GAAKMT2AMEN1CTDSP1TP53
SCHEMBL9535621 0.90 CTDSP1 (0.42) GAAKMT2AMEN1CTDSP1TP53
SCHEMBL9534944 0.84 ALDH1A1 (0.39) GAAKMT2ARAB9AMAPTCTDSP1
SCHEMBL10512411 0.84 CTDSP1 (0.38) GAARAB9AMAPTCTDSP1TP53
SCHEMBL9535761 0.83 ALDH1A1 (0.40) GAAKMT2ARAB9AMAPTCTDSP1
SCHEMBL9534752 0.82 MAPK1 (0.37) GAAKMT2ARAB9ACTDSP1MAPK1
SCHEMBL9538452 0.81 CTDSP1 (0.37) GAARAB9ACTDSP1MAPK1LDHA
SCHEMBL9534636 0.81 RAB9A (0.38) GAAKMT2AMEN1RAB9ACTDSP1

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