SCHEMBL2551849

SCHEMBL2551849

O=Cc1c(-c2cc(F)ccc2F)nn(-c2cccc(F)c2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
TDO2 P48775 3/20 0.40
ESR1 P03372 1/20 0.38
DHODH Q02127 3/20 0.33
MPI P34949 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
GRM5 P41594 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
POLB P06746 1/20 0.32
P2RX7 Q99572 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL15333108 0.93 TRPV1 (0.38) IDO1TDO2ESR1POLBP2RX7
SCHEMBL15332030 0.91 S1PR1 (0.37) IDO1TDO2DHODHPOLB
SCHEMBL29951687 0.91 S1PR1 (0.37) IDO1TDO2DHODHPOLB
SCHEMBL2560741 0.90 ESR1 (0.40) IDO1TDO2ESR1MPIFAAH
SCHEMBL15332452 0.90 DHODH (0.34) IDO1TDO2ESR1DHODH
SCHEMBL2559756 0.89 IDO1 (0.37) IDO1TDO2DHODH
SCHEMBL2559144 0.89 LMNA (0.36) IDO1TDO2DHODHP2RX7
SCHEMBL15330137 0.88 ESR1 (0.39) IDO1TDO2ESR1DHODHFAAH
SCHEMBL2557976 0.88 IDO1 (0.39) IDO1TDO2ESR1MPIP2RX7
SCHEMBL2557819 0.87 IDO1 (0.42) IDO1TDO2ESR1DHODHFAAH

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