SCHEMBL21150835

SCHEMBL21150835

CNC1(C(=O)N(C=O)c2cccc(N)c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
HDAC2 Q92769 2/20 0.38
HDAC1 Q13547 1/20 0.38
PARP14 Q460N5 1/20 0.37
USP30 Q70CQ3 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
ATM Q13315 1/20 0.36
KDM1A O60341 1/20 0.36
NAMPT P43490 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35

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
SCHEMBL21150818 0.88 TSHR (0.44) USP30GPR119TSHRMEN1KMT2A
SCHEMBL21150851 0.85 GPR119 (0.39) HDAC2HDAC1USP30GPR119TSHR
SCHEMBL4224081 0.74 GPR119 (0.45) NR1H2PARP14USP30GPR119KDM1A
SCHEMBL4220685 0.71 NR1H4 (0.37) NR1H2GPR119MEN1KMT2A
SCHEMBL521464 0.70 NR1H2 (0.48) NR1H2HDAC2HDAC1USP30GPR119
SCHEMBL14346584 0.70 ALDH1A1 (0.39) GPR119TSHRALOX15NAMPT
SCHEMBL21152108 0.69 POLB (0.34)
SCHEMBL4443471 0.69 USP2 (0.46) HDAC2HDAC1GPR119TSHRKMT2A
SCHEMBL17153057 0.68 NR1H2 (0.46) NR1H2USP30GPR119KDM1ANAMPT
SCHEMBL30198151 0.67 GPR119 (0.60) NR1H2USP30GPR119NAMPT

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-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed