SCHEMBL2559313

SCHEMBL2559313

C#CCNC(=O)COc1ccc(C=O)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 1/20 0.47
POLB P06746 2/20 0.47
CTSL P07711 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 3/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2558600 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAPOLBCTSL
SCHEMBL15331633 0.86 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2GAAPOLBCTSL
SCHEMBL15330644 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBLMNANPC1
SCHEMBL2552401 0.85 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2POLBCYP1A2CYP2C19
SCHEMBL2560553 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBMAPTLMNA
SCHEMBL15331054 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAAPOLBMAPT
SCHEMBL2555413 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAAPOLBCTSL
SCHEMBL15330685 0.81 MAPT (0.51) ALDH1A1SMN1; SMN2POLBCYP1A2CYP2D6
SCHEMBL2558620 0.81 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2GAAPOLBCTSL
SCHEMBL2558419 0.80 PTGDR2 (0.61) ALDH1A1SMN1; SMN2GAAPOLBCTSL

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