SCHEMBL15330730

SCHEMBL15330730

O=Cc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.46
MAPT P10636 6/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GUSB P08236 2/20 0.39
IDO1 P14902 1/20 0.38
TNKS O95271 3/20 0.37
TNKS2 Q9H2K2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NLRP3 Q96P20 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL15332461 0.88 MAPT (0.45) CNR1MAPTRAB9ANPC1GUSB
SCHEMBL15330507 0.85 TNKS (0.47) MAPTIDO1TNKSTNKS2MEN1
SCHEMBL15329502 0.84 CNR1 (0.46) CNR1MAPTKDM4E
SCHEMBL15329514 0.81 SMN1; SMN2 (0.46) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL15330378 0.81 TNKS (0.50) MAPTTNKSTNKS2MEN1KMT2A
SCHEMBL15332415 0.81 CNR1 (0.39) CNR1MAPTGUSBL3MBTL1ALDH1A1
SCHEMBL15330751 0.81 SERPINE1 (0.39) CNR1MAPTRAB9ANPC1KMT2A
SCHEMBL5635570 0.80 IDO1 (0.50) CNR1MAPTGUSBIDO1TNKS
SCHEMBL15331616 0.79 CNR1 (0.40) CNR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2558215 0.79 CNR1 (0.37) CNR1TNKSTNKS2PARP1ALOX5

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