SCHEMBL15329338

SCHEMBL15329338

O=Cc1c(-c2ccc([N+](=O)[O-])cc2)nn(-c2ccccc2F)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PTGS2 P35354 1/20 0.38
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
PTPN11 Q06124 1/20 0.37
AURKA O14965 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL15330613 0.88 NPC1 (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2557821 0.86 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL2559077 0.86 POLB (0.41) SRCBRAFKDRALDH1A1POLB
SCHEMBL15331929 0.85 KCNN4 (0.37) NPC1RAB9APTGS2ALDH1A1POLB
SCHEMBL2555081 0.83 GAA (0.38) PTGS2KMT2A
SCHEMBL15330963 0.83 PTPN11 (0.49) MAPTNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL2563136 0.82 SMN1; SMN2 (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2554684 0.82 CA1 (0.44) MAPTSMN1; SMN2SRCBRAFKDR
SCHEMBL2557102 0.81 SRC (0.55) MAPTNPC1RAB9APTGS2SRC
SCHEMBL15331337 0.81 SRC (0.55) MAPTNPC1RAB9APTGS2SRC

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