SCHEMBL2557559

SCHEMBL2557559

O=Cc1c[nH]c(-c2ccc(F)c(Br)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
VCP P55072 1/20 0.31
TYMP P19971 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL2555372 0.86 TYMP (0.41) MAOBTYMP
SCHEMBL15329600 0.82 ERCC1 (0.43)
SCHEMBL15332262 0.82 DAPK3 (0.38) GRIN2B
SCHEMBL2560329 0.79 ERN1 (0.43) TYMPGRIN2B
SCHEMBL2558891 0.79 ESR1 (0.45)
SCHEMBL15331416 0.79 KMO (0.41) MAOBGRIN2B
SCHEMBL2554567 0.79 MAPT (0.47) MAOB
SCHEMBL2563031 0.79 LRRK2 (0.39)
SCHEMBL15330812 0.78 ALDH1A1 (0.42)
SCHEMBL15332789 0.78 KDM4E (0.38) PARP1TYMP

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