SCHEMBL2562003

SCHEMBL2562003

Cc1cc(C)c2[nH]c(-c3cccc(F)c3F)c(C=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
MAPT P10636 1/20 0.36
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 1/20 0.34
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
DYRK1A Q13627 1/20 0.32
ERN1 O75460 1/20 0.31
PDE7A Q13946 1/20 0.31
SLC9A1 P19634 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL15332902 0.91 DHODH (0.37) TNKSTNKS2DHODHCCNT1CDK9
SCHEMBL29957349 0.90 ABCB1 (0.42) ABCB1MAPTTNKSTNKS2SMN1; SMN2
SCHEMBL15330218 0.86 ABCB1 (0.40) ABCB1MAPTTNKSTNKS2SMN1; SMN2
SCHEMBL2554134 0.86 PDE7A (0.40) MAPTTNKSTNKS2CCNB2CDK1
SCHEMBL29956862 0.84 ABCB1 (0.46) ABCB1MAPTSMN1; SMN2CCNB2CDK1
SCHEMBL2562653 0.81 MEN1 (0.41) ABCB1MAPTSMN1; SMN2DHODHERN1
SCHEMBL2557773 0.81 TNKS (0.35) MAPTTNKSTNKS2SMN1; SMN2DYRK1A
SCHEMBL15332296 0.81 MAPT (0.37) ABCB1MAPTSMN1; SMN2CCNT1CDK9
SCHEMBL2554943 0.81 MEN1 (0.40) MAPTTNKSTNKS2SMN1; SMN2CCNB2
SCHEMBL2557351 0.81 GSK3A (0.37) GSK3B

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