SCHEMBL21958804

SCHEMBL21958804

C=CC(=O)N1CCC(C)(CC)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.40
TET3 O43151 9/20 0.40
FBXL19 Q6PCT2 9/20 0.40
KDM2B Q8NHM5 9/20 0.40
CXXC4 Q9H2H0 9/20 0.40
KDM2A Q9Y2K7 9/20 0.40
CXXC5 Q7LFL8 8/20 0.40
TET1 Q8NFU7 7/20 0.40
JAK3 P52333 4/20 0.34
BTK Q06187 3/20 0.32
VNN1 O95497 1/20 0.32
TXK P42681 1/20 0.31
ITK Q08881 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL24497417 1.00 KMT2A (0.40) KMT2ATET3FBXL19KDM2BCXXC4
SCHEMBL24595770 0.90 JAK3 (0.40) KMT2ATET3FBXL19KDM2BCXXC4
SCHEMBL25207893 0.89 KMT2A (0.45) KMT2ATET3FBXL19KDM2BCXXC4
SCHEMBL29333077 0.85 KMT2A (0.35) KMT2ATET3FBXL19KDM2BCXXC4
SCHEMBL23137147 0.80 TET3 (0.32) KMT2ATET3FBXL19KDM2BCXXC4
SCHEMBL24244455 0.80 KMT2A (0.44) KMT2ATET3FBXL19KDM2BCXXC4
SCHEMBL25976873 0.79 KMT2A (0.44) KMT2ATET3FBXL19KDM2BCXXC4
SCHEMBL13819676 0.78 SMN1; SMN2 (0.39) KMT2AVNN1ALDH1A1
SCHEMBL13819904 0.78 SMN1; SMN2 (0.39) KMT2AVNN1ALDH1A1
SCHEMBL22145440 0.77 KMT2A (0.46) KMT2ATET3FBXL19KDM2BCXXC4

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-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed