SCHEMBL25465262

SCHEMBL25465262

C=CC(=O)NCC1CCC(C(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.35
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
F13A1 P00488 1/20 0.31
TGM1 P22735 1/20 0.31
ALOX15 P16050 1/20 0.31
MGLL Q99685 1/20 0.31
BTK Q06187 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.30
GAK O14976 1/20 0.30

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
SCHEMBL25181526 0.86 TDP1 (0.30) TDP1
SCHEMBL21731479 0.85 MAP3K7 (0.34) KMT2AALDH1A1LMNATDP1TSHR
SCHEMBL21731542 0.83 KMT2A (0.36) KMT2AALDH1A1MGLLSMN1; SMN2MEN1
SCHEMBL21731540 0.83 MAP3K7 (0.33) KMT2AALDH1A1SMN1; SMN2
SCHEMBL180930 0.80 TDP1 (0.33) KMT2AALDH1A1LMNATDP1MGLL
SCHEMBL21538842 0.78 MEN1 (0.33) KMT2AALDH1A1TSHRMGLLMEN1
SCHEMBL17776136 0.78 MGLL (0.33) KMT2ATDP1MGLLSMN1; SMN2
SCHEMBL855021 0.78 MGLL (0.33) KMT2ATDP1MGLLSMN1; SMN2
SCHEMBL18751703 0.78 MGLL (0.33) KMT2ATDP1MGLLSMN1; SMN2
SCHEMBL17776064 0.78 MGLL (0.33) KMT2ATDP1MGLLSMN1; SMN2

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-2023086028-A2 ALLENAMIDE LINKERS FOR ANTIBODY-DRUG CONJUGATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-05-19 WO disclosed