SCHEMBL15330894

SCHEMBL15330894

O=Cc1c(-c2ccccc2[N+](=O)[O-])[nH]c2c(F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.43
PARP1 P09874 1/20 0.41
GUSB P08236 2/20 0.39
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.36
F2 P00734 1/20 0.36
C1R P00736 1/20 0.36
FBP1 P09467 1/20 0.36
MAPK10 P53779 1/20 0.36
RIPK1 Q13546 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL15332615 0.85 MGAM (0.45) PARP1GUSBKMT2ATDP1MAPT
SCHEMBL15330874 0.84 CNR1 (0.40) CNR1KMT2AMAPTMEN1C1R
SCHEMBL15330102 0.83 MAPT (0.35) PARP1GUSBKMT2ATDP1MAPT
SCHEMBL15331586 0.82 ALDH1A1 (0.48) PARP1KMT2ATDP1MAPTNPC1
SCHEMBL15329887 0.80 TNKS (0.38) CNR1ALDH1A1MGAMGAASI
SCHEMBL2556780 0.80 FEN1 (0.38) CNR1MAPK10RIPK1
SCHEMBL15330473 0.79 KMT2A (0.41) CNR1KMT2ATDP1MAPTNPC1
SCHEMBL15330506 0.79 MAPT (0.40) PARP1GUSBKMT2ATDP1MAPT
SCHEMBL15332286 0.79 KMT2A (0.45) CNR1GUSBKMT2ATDP1MAPT
SCHEMBL15330730 0.79 CNR1 (0.46) CNR1PARP1GUSBKMT2ATDP1

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