SCHEMBL29029294

SCHEMBL29029294

O=C(CCCBr)Nc1ncncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK10 P53779 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL1088030 0.81 LMNA (0.41) EPHX2LMNAHTTGAA
SCHEMBL2489636 0.75 ALDH1A1 (0.42) EPHX2LMNAHTTGAARAB9A
SCHEMBL9948617 0.73 LMNA (0.46) EPHX2LMNAHTTGAARAB9A
SCHEMBL10115442 0.70 GRIA1 (0.46) LMNAHDAC6MAPK10
SCHEMBL10115084 0.70 ALDH1A1 (0.39) LMNAHDAC3HDAC4HDAC1HDAC10
SCHEMBL4251073 0.69 LMNA (0.38) EPHX2LMNAHTTGAASMN1; SMN2
SCHEMBL25319854 0.68 EPHX2 (0.43) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2472029 0.68 EPHX2 (0.44) EPHX2LMNAHTTGAAL3MBTL1
SCHEMBL8132454 0.67 HDAC4 (0.66) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL2492016 0.67 EPHX2 (0.58) EPHX2GAAHDAC3HDAC4HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396232-B Fracturing fluid thickening and viscosity increasing agent and preparation method thereof 广饶六合化工有限公司 2023-08-11 CN claimed
CN-116396232-A Fracturing fluid thickening and viscosity increasing agent and preparation method thereof 广饶六合化工有限公司 2023-07-07 CN claimed
CN-116396232-B Fracturing fluid thickening and viscosity increasing agent and preparation method thereof 广饶六合化工有限公司 2023-08-11 CN disclosed
CN-116396232-A Fracturing fluid thickening and viscosity increasing agent and preparation method thereof 广饶六合化工有限公司 2023-07-07 CN disclosed