SCHEMBL17488363

SCHEMBL17488363

CC(=O)NCCNC(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PAOX Q6QHF9 3/20 0.41
TRPA1 O75762 1/20 0.41
ADRA1A P35348 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F13A1 P00488 1/20 0.36
FAAH O00519 1/20 0.36
CNR1 P21554 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36

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
SCHEMBL10866810 0.87 HDAC3 (0.41) TSHRALDH1A1TRPA1MEN1KMT2A
SCHEMBL8107 0.81 KDM4E (0.71) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL16142385 0.80 MEN1 (0.39) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL10013641 0.80
SCHEMBL23475911 0.79 CA3 (0.38) TSHRALDH1A1TRPA1MEN1KMT2A
SCHEMBL12564282 0.78 TRPA1 (0.46) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL5525368 0.77 ALDH1A1 (0.56) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL10488313 0.77 KDM4E (0.52) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL357314 0.77 MEN1 (0.64) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL4997115 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017034927-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-02 WO disclosed
EP-2980098-A1 (SUGAR CHAIN)-POLYPEPTIDE COMPLEX Glytech, Inc. (JP) 2016-02-03 EP disclosed