SCHEMBL2559643

SCHEMBL2559643

CC(C)NC(=O)CCOc1ccc(Cl)cc1C=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.65
NLRP1 Q9C000 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 1/20 0.47
KDM4E B2RXH2 5/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL2560314 0.88 SMN1; SMN2 (0.71) HPGDNLRP1SMN1; SMN2MAPTKDM4E
SCHEMBL15330008 0.85 MAPT (0.50) HPGDNLRP1SMN1; SMN2MAPTKDM4E
SCHEMBL15332042 0.84 KDM4E (0.62) HPGDNLRP1SMN1; SMN2MAPTKDM4E
SCHEMBL15331648 0.83 TSHR (0.64) HPGDNLRP1SMN1; SMN2MAPTKDM4E
SCHEMBL2560058 0.81 SMN1; SMN2 (0.56) HPGDNLRP1SMN1; SMN2MAPTLMNA
SCHEMBL2562156 0.81 HPGD (0.64) HPGDNLRP1SMN1; SMN2MAPTCYP1A2
SCHEMBL20798229 0.79 MAPT (0.74) HPGDNLRP1SMN1; SMN2MAPTKDM4E
SCHEMBL15330056 0.79 NPC1 (0.54) HPGDSMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL2562734 0.79 SMN1; SMN2 (0.57) HPGDNLRP1SMN1; SMN2MAPTKDM4E
SCHEMBL2558582 0.78 LMNA (0.55) HPGDNLRP1SMN1; SMN2MAPTKDM4E

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