SCHEMBL15330236

SCHEMBL15330236

CC(C)(C)C(=O)Nc1ccccc1-c1cnccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CETP P11597 1/20 0.44
TOP2A P11388 1/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL1501756 0.83 TSHR (0.46) TSHRCETPTOP2AMAPTNPC1
SCHEMBL2513360 0.80 TSHR (0.46) TSHRCETPTOP2ANPC1RAB9A
SCHEMBL2556303 0.78 CETP (0.49) CETPTOP2AMAPTTP53LMNA
SCHEMBL2087952 0.78 CETP (0.67) TSHRCETPTOP2AMAPTTP53
SCHEMBL15427825 0.77 CETP (0.57) TSHRCETPRAB9ALMNAKDM4E
SCHEMBL6637207 0.76 TSHR (0.48) TSHRCETPTOP2AMAPTTP53
SCHEMBL6634909 0.75 MEN1 (0.54) TSHRCETPTOP2ANPC1RAB9A
SCHEMBL13659537 0.75 MAOA (0.48) TSHRSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12750476 0.74 TSHR (0.55) TSHRCETPTOP2AMAPTNPC1
SCHEMBL2560403 0.74 ERN1 (0.46) CETPTACR1

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