SCHEMBL3825796

SCHEMBL3825796

CCOCc1c[nH]nc1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3826355 0.84 TDP1 (0.34) TSHRKDM4EPOLB
SCHEMBL11202722 0.81 IDO1 (0.38)
SCHEMBL9180692 0.78 CYP1A2 (0.33)
SCHEMBL9182082 0.78 TSHR (0.30) TSHR
SCHEMBL22276441 0.76
SCHEMBL9181769 0.74 LMNA (0.36)
SCHEMBL11200306 0.72 ALDH1A1 (0.45) MEN1TSHRKMT2AKDM4E
SCHEMBL7455345 0.71 MEN1 (0.37) MEN1KMT2A
SCHEMBL9183768 0.71 CA1 (0.32)
SCHEMBL7454500 0.68 ALDH1A1 (0.32)

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-2099452-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING Mallinckrodt Inc. (US) 2009-09-16 EP disclosed
WO-2008061792-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING MALLINCKRODT INC. (US) 2008-05-29 WO disclosed