SCHEMBL7942579

SCHEMBL7942579

Cc1cc(C2CC2)c(I)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.36
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL23254021 0.72 PDK2 (0.47) PSMB5PDK2PDK4CHRNB2CHRNA4
SCHEMBL19067631 0.69 PDK2 (0.34) PDK2PDK4KDM4EUSP2HPGD
SCHEMBL22165239 0.69 PSMB5 (0.37) PSMB5
SCHEMBL26841823 0.69 KDM4E (0.37) KDM4EHPGD
SCHEMBL24574591 0.68 PSMB5 (0.35) PSMB5PDK2PDK4
SCHEMBL7940997 0.68 CHRNA7 (0.36) PDK2PDK4
SCHEMBL10200506 0.66 JAK3 (0.35) KDM4EHPGDNPSR1HSD17B10
SCHEMBL9209136 0.66 NOS3 (0.32)
SCHEMBL9209139 0.66 NCF1 (0.41) KDM4EHSD17B10
SCHEMBL26709437 0.66 LMNA (0.39) KDM4EHPGD

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-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed