SCHEMBL9058909

SCHEMBL9058909

CCC(=O)c1cccc(CC)c1N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
CLCN2 P51788 1/20 0.40
LMNA P02545 2/20 0.40
ABCB11 O95342 1/20 0.40
PTGS1 P23219 1/20 0.40
ADORA1 P30542 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
PDK2 Q15119 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
SCHEMBL27733489 0.89 ABCB11 (0.38) GABRA1GABRB2LMNAABCB11PTGS1
SCHEMBL10970621 0.88 HSP90AB1 (0.44) KDM4EHIF1ATDP1HSP90AB1ALDH1A1
SCHEMBL3622854 0.82 PARP1 (0.47) GABRA1GABRB2CLCN2LMNAABCB11
SCHEMBL808482 0.82 G6PD (0.57) GABRA1GABRB2CLCN2LMNAABCB11
SCHEMBL9632452 0.82 ALDH1A1 (0.46) KDM4EHIF1ATDP1HSP90AB1ALDH1A1
SCHEMBL9058759 0.82 GABRA1 (0.45) GABRA1GABRB2CLCN2LMNAABCB11
SCHEMBL30762619 0.82 G6PD (0.57) GABRA1GABRB2CLCN2LMNAABCB11
SCHEMBL7547028 0.81 CD44 (0.43) KDM4EHIF1ATDP1HSP90AB1ALDH1A1
SCHEMBL15958950 0.81 G6PD (0.60) PTGS1KDM4EHIF1ATDP1HSP90AB1
SCHEMBL8691817 0.81 PARP1 (0.42) LMNAKDM4EHIF1ATDP1HSP90AB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996010566-A1 SUBSTITUTED PHENYLAMINOSULPHONYL UREAS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-11 WO disclosed