SCHEMBL15329813

SCHEMBL15329813

O=Cc1c(-c2ccccc2F)nn(-c2ccccc2Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.44
MAPK14 Q16539 6/20 0.42
MAPK11 Q15759 4/20 0.42
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
PTGS2 P35354 1/20 0.33
CNR1 P21554 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15330181 0.92 MAPK14 (0.40) KCNN4MAPK14MAPK11MAPTLMNA
SCHEMBL15329947 0.90 KCNN4 (0.44) KCNN4MAPK14MAPK11MAPTMAPK13
SCHEMBL29951228 0.90 KCNN4 (0.42) KCNN4KMT2A
SCHEMBL29957276 0.90 MAPK14 (0.37) KCNN4MAPK14MAPK11MAPK13MAPK12
SCHEMBL2559073 0.88 MAPK14 (0.45) KCNN4MAPK14MAPK11LMNATP53
SCHEMBL2558574 0.88 MAPK11 (0.39) KCNN4MAPK14MAPK11LMNATP53
SCHEMBL15329727 0.88 MAPK14 (0.42) KCNN4MAPK14MAPK11MAPTLMNA
SCHEMBL15331989 0.87 KCNN4 (0.46) KCNN4MAPK14MAPK11MAPTLMNA
SCHEMBL15331911 0.82 LMNA (0.49) MAPK14MAPK11LMNATP53MAPK13
SCHEMBL2557663 0.82 MAPK11 (0.37) MAPK14MAPK11LMNATP53CNR1

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 5 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