SCHEMBL19611151

SCHEMBL19611151

CNC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TSHR P16473 2/20 0.56
HPGD P15428 2/20 0.56
POLB P06746 3/20 0.56
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.53
BTK Q06187 1/20 0.53
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
EPHX2 P34913 2/20 0.51
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL10723960 0.89 HPGD (0.68) L3MBTL1TSHRHPGDPOLBMEN1
SCHEMBL19611154 0.84 HPGD (0.66) TSHRHPGDPOLBMEN1KMT2A
SCHEMBL4260025 0.83 HPGD (0.60) L3MBTL3L3MBTL1TSHRHPGDPOLB
SCHEMBL14258634 0.82 HPGD (0.59) TSHRHPGDPOLBMEN1KMT2A
SCHEMBL18193200 0.82 EPHX2 (0.60) TSHRHPGDPOLBMEN1KMT2A
SCHEMBL3226822 0.81 HPGD (0.59) L3MBTL1TSHRHPGDPOLBMEN1
SCHEMBL8360507 0.80 HPGD (0.73) L3MBTL1TSHRHPGDPOLBMEN1
SCHEMBL7363942 0.80 HPGD (0.65) L3MBTL1TSHRHPGDPOLBMEN1
SCHEMBL13247636 0.79 PLOD2 (0.60) HPGDHDAC8HDAC6MEN1KMT2A
SCHEMBL2378760 0.78 KDM1A (0.57) L3MBTL1TSHRHPGDMEN1KMT2A

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
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed