SCHEMBL2553499

SCHEMBL2553499

CC(=O)c1ccc(-n2nnc(C(=O)O)c2C)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.78
HTT P42858 1/20 0.71
CA2 P00918 3/20 0.56
CA1 P00915 2/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
KMT2A Q03164 1/20 0.56
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.50
GRM1 Q13255 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PFKFB3 Q16875 1/20 0.44

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
SCHEMBL32889301 0.90 PTGS2 (0.82) PTGS2HTTCA2CA1CA12
SCHEMBL20604184 0.85 HTT (0.78) PTGS2HTTCA2CA1CA12
SCHEMBL4771303 0.83 HTT (1.00) PTGS2HTTCA2CA1CA12
SCHEMBL17260096 0.83 PTGS2 (0.77) PTGS2HTTCA2CA1CA12
SCHEMBL3402693 0.83 PTGS2 (0.77) PTGS2HTTCA2CA1CA12
SCHEMBL16697767 0.83 HTT (0.73) PTGS2HTTCA2CA1CA12
SCHEMBL15331504 0.82 HTT (0.68) PTGS2HTTCA2CA1CA12
SCHEMBL13158528 0.80 HTT (0.61) PTGS2HTTCA2CA1CA12
SCHEMBL15882034 0.80 HTT (0.69) PTGS2HTTCA2CA1CA12
SCHEMBL17454428 0.79 HTT (0.78) PTGS2HTTCA2CA1CA12

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