SCHEMBL22796307

SCHEMBL22796307

CCOC(=O)C1CCCN(c2nc3ccc(C(F)(F)F)cc3n3cccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 6/20 0.49
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
TSHR P16473 2/20 0.49
CASP1 P29466 1/20 0.49
MMP13 P45452 1/20 0.49
CASP7 P55210 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
HSP90AA1 P07900 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
ADRB2 P07550 1/20 0.47
ADRA2A P08913 1/20 0.47
GMNN O75496 1/20 0.47
MAPK1 P28482 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
SCHEMBL22796411 0.90 TP53 (0.52) TP53THRBKDM4EMAPTTSHR
SCHEMBL22796309 0.87 LMNA (0.52) TP53THRBKDM4EMAPTTSHR
SCHEMBL22796308 0.77 LMNA (0.57) TP53THRBKDM4EMAPTTSHR
SCHEMBL22796306 0.72 HTR3E (0.57) TP53KDM4EMAPTTSHRLMNA
SCHEMBL3778276 0.71 SHMT2 (0.49) THRBKDM4EMAPTNPSR1TSHR
SCHEMBL19078360 0.69 ALDH1A1 (0.48) THRBKDM4EMAPTTSHRALDH1A1
SCHEMBL22539563 0.69 ALDH1A1 (0.48) THRBKDM4EMAPTTSHRALDH1A1
SCHEMBL19078359 0.69 ALDH1A1 (0.48) THRBKDM4EMAPTTSHRALDH1A1
SCHEMBL31065690 0.69 ALDH1A1 (0.64) TP53THRBKDM4EMAPTNPSR1
SCHEMBL23168873 0.68 SHMT2 (0.42) TP53THRBKDM4EMAPTNPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252195-A1 TELOMERASE REVERSE TRANSCRIPTASE DEGRADERS AND METHODS OF USE THEREOF THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2020-12-17 WO disclosed