SCHEMBL11248977

SCHEMBL11248977

CC(N)CN(C)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TACR1 P25103 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL1003650 0.85 NAMPT (0.55) KMT2AMEN1TACR1HDAC1HDAC6
SCHEMBL29845593 0.84 KMT2A (0.49) KMT2AMEN1TACR1HDAC1HDAC6
SCHEMBL30644814 0.84 KMT2A (0.49) KMT2AMEN1TACR1HDAC1HDAC6
SCHEMBL6499535 0.79 HDAC1 (0.47) KMT2AMEN1TACR1HDAC1HDAC6
SCHEMBL16941093 0.79 NAMPT (0.56) KMT2AMEN1HDAC1HDAC6NPC1
SCHEMBL2321624 0.78 KMT2A (0.44) KMT2AMEN1TACR1HDAC1HDAC6
Hydrochloric Acid SCHEMBL6499537 0.78 HDAC1 (0.46) KMT2AMEN1TACR1HDAC1HDAC6
SCHEMBL4585832 0.77 KMT2A (0.53) KMT2AMEN1HDAC1HDAC6ALDH1A1
SCHEMBL14461628 0.77 MEN1 (0.43) KMT2AMEN1TACR1HDAC1HDAC6
SCHEMBL496380 0.77 CSNK1E (0.47) KMT2AMEN1HDAC1HDAC6HPGD

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
US-4341893-A HYPOTENSIVE AGENTS SYNTHELABO (FR) 1982-07-27 US disclosed