SCHEMBL9534232

SCHEMBL9534232

CCc1cccc(CC)c1NC(=O)c1c2n(c(C)cc1=O)CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.44
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9534929 0.99 CTDSP1 (0.42) CTDSP1ALDH1A1GAAALOX15TP53
SCHEMBL10512411 0.91 CTDSP1 (0.38) CTDSP1ALDH1A1GAAALOX15TP53
SCHEMBL9534895 0.83 CTDSP1 (0.44) CTDSP1ALDH1A1GAAALOX15TP53
SCHEMBL9534524 0.81 CTDSP1 (0.42) CTDSP1ALDH1A1GAAALOX15TP53
SCHEMBL9538659 0.81 CTDSP1 (0.42) CTDSP1ALDH1A1GAAALOX15TP53
SCHEMBL9535621 0.81 CTDSP1 (0.42) CTDSP1ALDH1A1GAAALOX15TP53
SCHEMBL9534154 0.80 CTDSP1 (0.43) CTDSP1ALDH1A1GAATP53TSHR
SCHEMBL9536103 0.80 CTDSP1 (0.41) CTDSP1ALDH1A1GAAALOX15TP53
SCHEMBL9536092 0.80 CTDSP1 (0.41) CTDSP1ALDH1A1GAAALOX15TP53
SCHEMBL9537574 0.77 CTDSP1 (0.41) CTDSP1ALDH1A1GAAALOX15TP53

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 2 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