SCHEMBL5013702

SCHEMBL5013702

O=C1CCC(n2ccc(I)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
ESR2 Q92731 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
SCHEMBL15825704 0.85
SCHEMBL26101147 0.81 SIGMAR1 (0.36)
SCHEMBL27568268 0.81 SIGMAR1 (0.39)
SCHEMBL31211912 0.79 MPO (0.35) MPOESR2
SCHEMBL12208817 0.79 TP53 (0.36) MPOESR2
SCHEMBL28752476 0.76 SMYD3 (0.34)
SCHEMBL31566399 0.76 HCAR1 (0.32)
SCHEMBL28752475 0.76 SMYD3 (0.34)
SCHEMBL744035 0.75 IDH1 (0.34) MPO
SCHEMBL28459957 0.74 CYP1A2 (0.33)

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-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 EP disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 WO disclosed