SCHEMBL2554572

SCHEMBL2554572

O=Cc1c(-c2cccc(F)c2)nn(-c2ccc(F)cc2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.40
PTGS2 P35354 4/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PPARG P37231 1/20 0.36
PTGS1 P23219 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
AR P10275 1/20 0.34
PTGER1 P34995 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL15331429 0.92 DHODH (0.40) DHODHPTGS2KMT2ALMNAPOLB
SCHEMBL2556611 0.90 DHODH (0.37) DHODHPTGS2KMT2APTGS1POLB
SCHEMBL2556481 0.89 DGAT2 (0.40) PTGS2KMT2AMEN1PTGS1LMNA
SCHEMBL15329796 0.89 DHODH (0.37) DHODHPTGS2KMT2APTGS1LMNA
SCHEMBL15331267 0.88 CA1 (0.38) PTGS2KMT2AMEN1PTGS1LMNA
SCHEMBL15333698 0.88 POLB (0.46) PTGS2KMT2AMEN1LMNAPOLB
SCHEMBL2555247 0.87 PTGS1 (0.42) DHODHPTGS2KMT2AMEN1PTGS1
SCHEMBL15330409 0.86 NPC1 (0.36) KMT2AALDH1A1GAA
SCHEMBL29956193 0.86 POLB (0.43) PTGS2KMT2ALMNAPOLBKDM4E
SCHEMBL15330979 0.85 NPC1 (0.41) DHODHPTGS2PTGS1LMNATP53

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