SCHEMBL15330684

SCHEMBL15330684

O=Cc1c(-c2ccc(F)cc2Cl)nn(-c2cccc(F)c2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
IDO1 P14902 3/20 0.39
TDO2 P48775 3/20 0.39
P2RX7 Q99572 3/20 0.38
MAPK14 Q16539 4/20 0.38
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CNR1 P21554 2/20 0.34
HSD11B1 P28845 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL15330196 0.92 TP53 (0.39) P2RX7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2557976 0.91 IDO1 (0.39) ESR1IDO1TDO2P2RX7MAPK14
SCHEMBL15330295 0.89 P2RX7 (0.39) IDO1TDO2P2RX7MAPK14MAPK13
SCHEMBL2560741 0.88 ESR1 (0.40) ESR1IDO1TDO2MAPK14MAPK13
SCHEMBL2551849 0.86 IDO1 (0.40) ESR1IDO1TDO2P2RX7TRPV1
SCHEMBL2559746 0.85 TRPV1 (0.39) ESR1IDO1TDO2P2RX7MAPK14
SCHEMBL2579514 0.85 IDO1 (0.40) ESR1IDO1TDO2P2RX7MAPK14
SCHEMBL15333108 0.84 TRPV1 (0.38) ESR1IDO1TDO2P2RX7TRPV1
SCHEMBL15330137 0.84 ESR1 (0.39) ESR1IDO1TDO2MAPK14KMT2A
SCHEMBL2560310 0.83 MAPK13 (0.41) P2RX7MAPK14MAPK13MAPK12MAPK11

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 5 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