SCHEMBL9534524

SCHEMBL9534524

CCc1cccc(CC)c1NC(=O)c1c2n(c(C)c(Br)c1=O)CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.42
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL9535621 1.00 CTDSP1 (0.42) CTDSP1TSHRTP53ALDH1A1GAA
SCHEMBL9538659 1.00 CTDSP1 (0.42) CTDSP1TSHRTP53ALDH1A1GAA
SCHEMBL9536103 0.99 CTDSP1 (0.41) CTDSP1TSHRTP53ALDH1A1GAA
SCHEMBL10512411 0.93 CTDSP1 (0.38) CTDSP1TSHRTP53ALDH1A1GAA
SCHEMBL9535595 0.90 GAA (0.38) CTDSP1TP53GAAMEN1KMT2A
SCHEMBL9536082 0.90 ALDH1A1 (0.38) CTDSP1TSHRTP53ALDH1A1GAA
SCHEMBL9536958 0.90 ALDH1A1 (0.38) CTDSP1TSHRALDH1A1GAAALOX15
SCHEMBL9534895 0.89 CTDSP1 (0.44) CTDSP1TSHRTP53ALDH1A1GAA
SCHEMBL9537574 0.88 CTDSP1 (0.41) CTDSP1TSHRTP53ALDH1A1GAA
SCHEMBL9538452 0.88 CTDSP1 (0.37) CTDSP1TSHRALDH1A1GAAALOX15

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 5 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-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