SCHEMBL2552041

SCHEMBL2552041

CC(=O)CC(=O)Nc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPT P10636 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
DNMT3B Q9UBC3 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL4386933 0.88 ALDH1A1 (0.53) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2499018 0.85 KDM4E (0.66) KDM4EPOLBTDP1MAPTNPC1
SCHEMBL31619607 0.85 KDM4E (0.66) KDM4EPOLBTDP1MAPTNPC1
SCHEMBL9824009 0.83 CYP3A4 (0.72) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7077248 0.83 KDM4C (0.68) KDM4EPOLBTDP1MAPTALDH1A1
SCHEMBL9267315 0.82 POLB (0.54) KDM4EPOLBTDP1MAPTNPC1
SCHEMBL15332191 0.81 KMT2A (0.53) KDM4EPOLBMAPTALDH1A1MEN1
SCHEMBL25704167 0.81 ALDH1A1 (0.53) KDM4EPOLBTDP1MAPTNPC1
SCHEMBL8930021 0.80 ALDH1A1 (0.47) KDM4EPOLBMAPTALDH1A1MEN1
SCHEMBL6023089 0.79 NPC1 (0.71) KDM4EPOLBMAPTNPC1RAB9A

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 8 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
US-4221709-A Azo pigments DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1980-09-09 US disclosed