SCHEMBL31445324

SCHEMBL31445324

C=C1CCN(C(=O)OC(C)(C)C)c2nc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ESR2 Q92731 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.33
PDK4 Q16654 1/20 0.33
STS P08842 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM1A O60341 1/20 0.32
NR1H2 P55055 1/20 0.32
GBA1 P04062 1/20 0.32
GRM5 P41594 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL31445013 0.86 BUB1 (0.38) POLBKMT2AMEN1ESR2PIM1
SCHEMBL4245461 0.86 GRM5 (0.39) KMT2AMEN1ESR2PIM1PIM2
SCHEMBL1809397 0.83 GPR119 (0.38) POLBKMT2AMEN1ESR2PIM1
SCHEMBL30133442 0.78 ESR2 (0.41) POLBKMT2AMEN1ESR2KDM1A
SCHEMBL12654612 0.78 ESR2 (0.41) POLBKMT2AMEN1ESR2KDM1A
SCHEMBL30684862 0.77 PIM1 (0.40) POLBKMT2AMEN1ESR2PIM1
SCHEMBL3400140 0.77 PIM1 (0.40) POLBKMT2AMEN1ESR2PIM1
SCHEMBL30168967 0.77 ESR2 (0.41) POLBKMT2AMEN1ESR2HSP90AA1
SCHEMBL1808364 0.77 ESR2 (0.41) POLBKMT2AMEN1ESR2HSP90AA1
SCHEMBL26916024 0.74 NOTUM (0.43) KMT2AMEN1ESR2CNR1CNR2

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-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed