SCHEMBL2556249

SCHEMBL2556249

C=CCNC(=O)Cn1nc(C)c(C=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
FAAH O00519 1/20 0.36
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL15332321 0.85 GAA (0.41) HTTGAAMEN1NPC1RAB9A
SCHEMBL2562893 0.82 RAB9A (0.48) HTTKDM4EGAANPC1RAB9A
SCHEMBL2555624 0.82 GAA (0.38) HTTGAASMN1; SMN2CYP3A4MAPT
SCHEMBL15330117 0.82 GAA (0.38) HTTGAASMN1; SMN2CYP3A4MAPT
SCHEMBL15331266 0.81 MEN1 (0.54) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL2559039 0.81 HTT (0.41) HTTKDM4EGAASMN1; SMN2CYP3A4
SCHEMBL2559491 0.80 HTT (0.39) TSHRHTTGAAMEN1NPC1
SCHEMBL2556122 0.80 TP53 (0.50) KDM4ERAB9AMAPTALDH1A1POLB
SCHEMBL2554897 0.78 HTT (0.59) HTTGAAMEN1KMT2AMAPT
SCHEMBL15331246 0.76 KMT2A (0.43) TSHRNPC1RAB9AKMT2ASMN1; SMN2

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