SCHEMBL2556503

SCHEMBL2556503

O=Cc1c(-c2ccc([N+](=O)[O-])cc2)nn(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.55
BRAF P15056 2/20 0.55
KDR P35968 2/20 0.55
PTGS1 P23219 1/20 0.50
PTGS2 P35354 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PTPN11 Q06124 2/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK13 O15264 1/20 0.39
RIPK2 O43353 1/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL15332097 1.00 SRC (0.55) SRCBRAFKDRPTGS1PTGS2
SCHEMBL29956596 0.89 SRC (0.45) SRCBRAFKDRPOLBKMT2A
SCHEMBL15330055 0.88 PTPN11 (0.49) PTGS2ALDH1A1PTPN11KMT2AMAPT
SCHEMBL15330547 0.88 SMN1; SMN2 (0.48) PTGS2ALDH1A1PTPN11KMT2AMAPT
SCHEMBL2559489 0.86 PTGS1 (0.42) SRCBRAFKDRPTGS1PTGS2
SCHEMBL2554295 0.86 MAPT (0.44) SRCBRAFKDRPTGS1POLB
SCHEMBL15330957 0.86 PTGS1 (0.42) SRCBRAFKDRPTGS1PTGS2
SCHEMBL15329873 0.86 CYP1A2 (0.44) SRCBRAFKDRPTGS1PTGS2
SCHEMBL2557102 0.86 SRC (0.55) SRCBRAFKDRPTGS1PTGS2
SCHEMBL15331337 0.86 SRC (0.55) SRCBRAFKDRPTGS1PTGS2

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