SCHEMBL2560438

SCHEMBL2560438

O=Cc1c(-c2ccccc2)nn(-c2cccc([N+](=O)[O-])c2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 7/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL15330924 0.93 MAPT (0.51) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2554295 0.90 MAPT (0.44) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2559659 0.89 MAPT (0.43) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL15330547 0.87 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL15330055 0.87 PTPN11 (0.49) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2556769 0.87 MAPT (0.43) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2562719 0.86 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2560270 0.84 MAPT (0.46) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2558728 0.84 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL2556647 0.84 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTHPGD

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