SCHEMBL2556098

SCHEMBL2556098

O=Cc1c(-c2ccccc2F)nn(-c2ccc(F)cc2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
DHODH Q02127 5/20 0.39
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 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
SCHEMBL15329948 0.92 LMNA (0.40) IDO1TDO2DHODHPTGS1PTGS2
SCHEMBL2555953 0.90 IDO1 (0.38) IDO1TDO2DHODHPTGS1PTGS2
SCHEMBL2563057 0.88 DHODH (0.38) IDO1TDO2DHODHPTGS1PTGS2
SCHEMBL2560573 0.87 KMT2A (0.46) KMT2AALDH1A1
SCHEMBL2560291 0.87 DHODH (0.37) IDO1TDO2DHODHPTGS1PTGS2
SCHEMBL2559144 0.87 LMNA (0.36) IDO1TDO2DHODHPTGS1PTGS2
SCHEMBL15333169 0.87 MAPK14 (0.37) IDO1TDO2PTGS1PTGS2LMNA
SCHEMBL2561098 0.86 IDO1 (0.45) IDO1TDO2DHODHPTGS1PTGS2
SCHEMBL2553601 0.85 DGAT2 (0.36) IDO1TDO2PTGS1PTGS2POLB
SCHEMBL29951687 0.85 S1PR1 (0.37) IDO1TDO2DHODHPOLBMAPT

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