SCHEMBL2552009

SCHEMBL2552009

Cc1ccc2c(C=O)c(-c3cccc([N+](=O)[O-])c3)[nH]c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
THRB P10828 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL15333187 0.88 MAPT (0.47) MAPTALDH1A1TDP1THRBADORA2A
SCHEMBL2560712 0.85 SMN1; SMN2 (0.40) MAPTALDH1A1TDP1ADORA2AADORA1
SCHEMBL29957073 0.84 SMN1; SMN2 (0.50) MAPTALDH1A1TDP1THRBADORA2A
SCHEMBL29953933 0.83 MAPT (0.48) MAPTALDH1A1TDP1THRBADORA2A
SCHEMBL2563854 0.83 PTGES (0.37) MAPTALDH1A1NPC1RAB9A
SCHEMBL15332461 0.81 MAPT (0.45) MAPTALDH1A1TDP1THRBMEN1
SCHEMBL2557473 0.81 ALOX5 (0.39) MAPTSMN1; SMN2
SCHEMBL2558676 0.81 TNKS2 (0.47) MAPTALDH1A1LMNA
SCHEMBL15330693 0.81 ALDH1A1 (0.47) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL15331543 0.80 MAPT (0.42) MAPTALDH1A1TDP1THRBADORA2A

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