SCHEMBL2554791

SCHEMBL2554791

O=Cc1c(-c2cccc(F)c2F)nn(-c2cccc(F)c2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ESR1 P03372 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPK14 Q16539 1/20 0.31
TP53 P04637 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
SCHEMBL15331481 0.92 IDO1 (0.43) IDO1TDO2ESR1RXFP1MAPT
SCHEMBL2557324 0.89 RAB9A (0.41) MAPTHTTMAPK1NPC1RAB9A
SCHEMBL2558103 0.88 MAPT (0.43) IDO1TDO2MAPTMAPK1NPC1
SCHEMBL2559114 0.87 ESR1 (0.40) IDO1TDO2ESR1RXFP1MAPT
SCHEMBL2555130 0.87 ESR1 (0.38) IDO1TDO2ESR1RXFP1MAPT
SCHEMBL2554206 0.87 RXFP1 (0.45) IDO1TDO2ESR1RXFP1MAPT
SCHEMBL2562812 0.86 ESR1 (0.37) IDO1TDO2ESR1RXFP1MAPT
SCHEMBL2557819 0.86 IDO1 (0.42) IDO1TDO2ESR1RXFP1MAPT
SCHEMBL2558516 0.83 IDO1 (0.41) IDO1TDO2ESR1MAPTHTT
SCHEMBL29956177 0.83 ESR1 (0.38) IDO1TDO2ESR1HTTMAPK1

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