SCHEMBL9534929

SCHEMBL9534929

CCc1cccc(CC)c1NC(=O)c1c2n(c(C)cc1=O)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 3/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
S1PR4 O95977 1/20 0.38
KCNK3 O14649 1/20 0.37

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
SCHEMBL9534232 0.99 CTDSP1 (0.44) CTDSP1ALDH1A1KDM4ETP53GAA
SCHEMBL10512411 0.90 CTDSP1 (0.38) CTDSP1ALDH1A1KDM4ETP53GAA
SCHEMBL9534895 0.81 CTDSP1 (0.44) CTDSP1ALDH1A1KDM4ETP53GAA
SCHEMBL9534154 0.81 CTDSP1 (0.43) CTDSP1ALDH1A1KDM4ETP53GAA
SCHEMBL9536092 0.81 CTDSP1 (0.41) CTDSP1ALDH1A1KDM4ETP53GAA
SCHEMBL9536103 0.81 CTDSP1 (0.41) CTDSP1ALDH1A1KDM4ETP53GAA
SCHEMBL9535621 0.80 CTDSP1 (0.42) CTDSP1ALDH1A1TP53GAAALOX15
SCHEMBL9534524 0.80 CTDSP1 (0.42) CTDSP1ALDH1A1TP53GAAALOX15
SCHEMBL9538659 0.80 CTDSP1 (0.42) CTDSP1ALDH1A1TP53GAAALOX15
SCHEMBL9537574 0.78 CTDSP1 (0.41) CTDSP1ALDH1A1KDM4ETP53GAA

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 8 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
JP-1193267-A None JP disclosed
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
JP-H01193267-A CONDENSED HETEROCYCLIC COMPOUND, ITS PRODUCTION AND HERBICIDE THEREFROM DAICEL CHEM IND LTD 1989-08-03 JP 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