SCHEMBL2558362

SCHEMBL2558362

COc1ccc(-c2nn(C)c(Cl)c2C=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGS2 P35354 10/20 0.41
PTGS1 P23219 7/20 0.41
MAPK1 P28482 2/20 0.40
CYP17A1 P05093 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDE2A O00408 1/20 0.39
ACLY P53396 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15330426 0.88 TDP2 (0.43) ERN1ALDH1A1KDM4EMAPK1NPSR1
SCHEMBL16627158 0.86 ACLY (0.43) KDM4EPTGS2PTGS1HTTACLY
SCHEMBL15332953 0.85 CYP1A2 (0.38) ERN1ALDH1A1PTGS2PTGS1NPSR1
SCHEMBL15331480 0.85 ERN1 (0.44) ERN1ALDH1A1KDM4EPTGS2PTGS1
SCHEMBL17290345 0.85 ERN1 (0.50) ERN1ALDH1A1KDM4EPTGS2PTGS1
SCHEMBL15331256 0.82 PDE4A (0.47) ERN1ALDH1A1KDM4EPTGS2PTGS1
SCHEMBL15330077 0.79 KMT2A (0.45) ALDH1A1KDM4EHTTMEN1NPC1
SCHEMBL15331476 0.78 KMT2A (0.42) ALDH1A1KDM4EPTGS2KMT2ASMN1; SMN2
SCHEMBL15330444 0.77 RIPK2 (0.39) ALDH1A1NPSR1KMT2A
SCHEMBL15331791 0.77 CYP1A2 (0.46) ERN1ALDH1A1KDM4EMAPK1NPC1

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