SCHEMBL2553837

SCHEMBL2553837

Cc1c(N2CCC(C(=O)O)C2)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.56
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SERPINE1 P05121 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2563666 0.93 ALDH1A1 (0.58) NOTUMTDP1ALDH1A1LMNATSHR
SCHEMBL2558544 0.92 TDP1 (0.60) TDP1ALDH1A1LMNATSHRPOLB
SCHEMBL2559524 0.87 NOTUM (0.65) NOTUMTDP1ALDH1A1LMNAPOLB
SCHEMBL2935666 0.80 NOTUM (0.62) NOTUM
SCHEMBL29956907 0.80 ALDH1A1 (0.69) NOTUMTDP1ALDH1A1LMNAPOLB
SCHEMBL2559422 0.80 ALDH1A1 (0.69) NOTUMTDP1ALDH1A1LMNAPOLB
SCHEMBL29954516 0.80 ALDH1A1 (0.69) NOTUMTDP1ALDH1A1LMNAPOLB
SCHEMBL29788336 0.79 TDP1 (0.69) NOTUMTDP1ALDH1A1LMNAPOLB
SCHEMBL2042488 0.79 TDP1 (0.69) NOTUMTDP1ALDH1A1LMNAPOLB
SCHEMBL17599487 0.78 CTSB (0.59) NOTUMTDP1ALDH1A1LMNAKMT2A

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