SCHEMBL29953858

SCHEMBL29953858

OB(O)c1ccc(Oc2ccc(Cl)nc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
ENPP2 Q13822 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL2558689 0.84 ENPP2 (0.48) LIPECA1CA2KDM4EPOLB
SCHEMBL29850392 0.81 ENPP2 (0.48) CA1CA2POLBENPP2
SCHEMBL145209 0.81 ENPP2 (0.48) CA1CA2POLBENPP2
SCHEMBL2559438 0.78 KDM4E (0.54) LIPECA1CA2KDM4EPOLB
SCHEMBL30760898 0.78 MEN1 (0.58) LIPECA1CA2KDM4EMEN1
SCHEMBL2561764 0.78 ENPP2 (0.58) LIPECA1CA2KDM4EPOLB
SCHEMBL13754662 0.77 CA1 (0.58) LIPECA1CA2ENPP2
SCHEMBL29955886 0.77 CA1 (0.58) LIPECA1CA2ENPP2
SCHEMBL2560279 0.76 GAA (0.49) KMT2ACHRNB2CHRNA4
SCHEMBL20718225 0.76 KDM4E (0.47) KDM4EPOLBMEN1KMT2A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed