SCHEMBL15330707

SCHEMBL15330707

COc1ccccc1-n1nc(C)c(C=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNN4 O15554 1/20 0.40
P2RX7 Q99572 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL15330493 0.83 PDE4A (0.41) ALDH1A1GAASMN1; SMN2MAPTNPC1
SCHEMBL15332948 0.83 GAA (0.41) ALDH1A1GAASMN1; SMN2MAPTL3MBTL1
SCHEMBL15331299 0.82 HTT (0.46) ALDH1A1GAASMN1; SMN2MAPTNPC1
SCHEMBL31327096 0.82 SMN1; SMN2 (0.55) ALDH1A1GAASMN1; SMN2MAPTNPC1
SCHEMBL15329768 0.82 SMN1; SMN2 (0.55) ALDH1A1GAASMN1; SMN2MAPTNPC1
SCHEMBL2557940 0.82 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2MAPTL3MBTL1
SCHEMBL2555174 0.82 GAA (0.40) ALDH1A1GAASMN1; SMN2MAPTL3MBTL1
SCHEMBL15331189 0.81 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2MAPTNPC1
SCHEMBL20578432 0.80 HPGD (0.46) ALDH1A1GAASMN1; SMN2MAPTNPC1
SCHEMBL15331216 0.80 OPRM1 (0.43) ALDH1A1GAASMN1; SMN2MAPTNPC1

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