SCHEMBL2557352

SCHEMBL2557352

O=Cc1c(-c2ccc(F)c(F)c2)nn(-c2ccccc2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
GRM5 P41594 1/20 0.37
KCNJ6 P48051 4/20 0.37
KCNJ5 P48544 4/20 0.37
KCNJ3 P48549 4/20 0.37
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL2556621 0.90 CA1 (0.41) CA1CA2MEN1USP2CYP1A2
SCHEMBL15332132 0.90 CA1 (0.40) CA1CA2MEN1USP2CYP1A2
SCHEMBL2559499 0.89 MAPT (0.37) CA1CA2CYP1A2CYP2C9CYP2C19
SCHEMBL2558337 0.89 IDO1 (0.37) CA1CA2MEN1USP2CYP1A2
SCHEMBL15331787 0.89 CA1 (0.40) CA1CA2MEN1KMT2ALMNA
SCHEMBL15332622 0.87 CA1 (0.36) CA1CA2POLBPTGS1PTGS2
SCHEMBL2556343 0.87 HTT (0.36) CA1CA2MEN1CYP1A2CYP2C9
SCHEMBL2554319 0.86 KCNN4 (0.34) CA1CA2AR
SCHEMBL15330960 0.86 PDE4A (0.47) MEN1KMT2ALMNAALDH1A1PDE4A
SCHEMBL15330588 0.85 POLB (0.52) MEN1KMT2ALMNAPOLBNPSR1

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 7 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed