SCHEMBL2559765

SCHEMBL2559765

O=Cc1cnn(-c2ccc(F)cc2F)c1Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.37
CYP1A2 P05177 1/20 0.37
GPR35 Q9HC97 2/20 0.36
MAPK14 Q16539 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
OPRM1 P35372 1/20 0.34

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
SCHEMBL2559318 0.88 MAPK14 (0.35) MAPK14L3MBTL1
SCHEMBL15331775 0.86 P2RX7 (0.40) CYP17A1CYP1A2MAPK14HDAC9GAA
SCHEMBL15330718 0.83 P2RX7 (0.37) MAPK14KMT2A
SCHEMBL2562380 0.82 GPR35 (0.37) CYP17A1CYP1A2GPR35MAPK14L3MBTL1
SCHEMBL15331814 0.82 KCNN4 (0.46) MAPK14KMT2A
SCHEMBL15331954 0.78 ALDH1A1 (0.46) MAPK14L3MBTL1NPC1RAB9AKMT2A
SCHEMBL15330532 0.77 MAPK14 (0.43) CYP17A1CYP1A2MAPK14HDAC9NPC1
SCHEMBL15330142 0.75 ERN1 (0.33) L3MBTL1
SCHEMBL15332784 0.75 PTGS2 (0.36) MAPK14L3MBTL1
SCHEMBL15330919 0.73 PKM (0.46) L3MBTL1KMT2ANPSR1OPRM1

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