SCHEMBL2559544

SCHEMBL2559544

Cc1ccc([N+](=O)[O-])cc1N1CCC(C(=O)O)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
RHOA P61586 1/20 0.59
ALDH1A1 P00352 5/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL15331485 0.92 TDP1 (0.60) TDP1RHOAALDH1A1HTTMAPT
SCHEMBL27886387 0.86 TDP1 (0.56) TDP1ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL2561368 0.85 GAA (0.55) TDP1RHOAALDH1A1HTTMAPT
SCHEMBL3255238 0.84 TDP1 (0.66) TDP1RHOAALDH1A1HTTMAPT
SCHEMBL12716972 0.83 ALDH1A1 (0.79) TDP1RHOAALDH1A1HTTMAPT
SCHEMBL9987106 0.82 TDP1 (0.74) TDP1RHOAALDH1A1HTTMAPT
SCHEMBL5765261 0.80 GAA (0.62) TDP1ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL2042415 0.80 TDP1 (0.71) TDP1RHOAALDH1A1HTTMAPT
SCHEMBL29788141 0.80 TDP1 (0.71) TDP1RHOAALDH1A1HTTMAPT
SCHEMBL6343184 0.79 MAPT (0.61) TDP1ALDH1A1MAPTPOLB

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