SCHEMBL2563069

SCHEMBL2563069

Cn1nc(-c2ccc(F)cc2)c(C=O)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.39
PTGS2 P35354 6/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK13 O15264 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL15329462 0.87 PTGS2 (0.45) KMT2APTGS2ALDH1A1L3MBTL1KDM4E
SCHEMBL15331430 0.86 SMN1; SMN2 (0.41) POLBKMT2APTGS2ALDH1A1L3MBTL1
SCHEMBL15331788 0.84 SMN1; SMN2 (0.47) POLBKMT2APTGS2ALDH1A1L3MBTL1
SCHEMBL2554367 0.84 CYP1A2 (0.33) KMT2AALDH1A1
SCHEMBL29954023 0.84 CSF1R (0.42) POLBKMT2APTGS2ALDH1A1L3MBTL1
SCHEMBL2560213 0.84 CYP1A2 (0.36) PTGS2ALDH1A1SMN1; SMN2
SCHEMBL29954402 0.84 SCN9A (0.41) ALDH1A1KDM4EMAPT
SCHEMBL15331899 0.82 ALDH1A1 (0.38) POLBKMT2APTGS2ALDH1A1KDM4C
SCHEMBL15332139 0.82 KMT2A (0.45) KMT2AALDH1A1KDM4CKDM4ESMN1; SMN2
SCHEMBL15331583 0.82 TYR (0.40) KMT2APTGS2ALDH1A1KDM4ETP53

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