SCHEMBL29197825

SCHEMBL29197825

O=C(NC1CCN(c2ccc(Br)cn2)CC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
TSHR P16473 1/20 0.51
EPHX1 P07099 1/20 0.48
DPP4 P27487 5/20 0.48
DPP7 Q9UHL4 5/20 0.48
KCNH2 Q12809 3/20 0.48
HSD11B1 P28845 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL31140036 1.00 ALDH1A1 (0.53) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL3266258 0.83 HRH3 (0.43) CKS1BSKP1SKP2KMT2A
SCHEMBL31140038 0.80 AKR1C3 (0.50) CKS1BSKP1SKP2
SCHEMBL1728874 0.80 AKR1C3 (0.50) CKS1BSKP1SKP2
SCHEMBL29197813 0.79 EPHX1 (0.45) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL30112569 0.79 EPHX1 (0.45) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL6276733 0.79 DGAT1 (0.49) ALDH1A1TSHRCKS1BSKP1SKP2
SCHEMBL6478335 0.79 HDAC1 (0.61) ALDH1A1TSHRTGM2TGM1MEN1
SCHEMBL3025692 0.78 CKS1B (0.60) CTSKCKS1BSKP1SKP2
SCHEMBL21564567 0.78 CKS1B (0.60) ALDH1A1TSHRCKS1BSKP1SKP2

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
CN-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 CN disclosed