SCHEMBL29639810

SCHEMBL29639810

COc1c(F)cccc1CC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PARP10 Q53GL7 3/20 0.40
PARP15 Q460N3 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
KRAS P01116 2/20 0.38
PARP14 Q460N5 2/20 0.38
MAOB P27338 1/20 0.38
MTNR1A P48039 2/20 0.38
HIF1A Q16665 1/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
CXCL8 P10145 1/20 0.37
MEP1B Q16820 1/20 0.37

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
SCHEMBL27894270 0.85 CXCL8 (0.53) KMT2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1032325 0.81 CA12 (0.50) ALDH1A1KMT2AHIF1APKM
SCHEMBL4685087 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AHIF1APKMMAPK1
SCHEMBL31063021 0.80 NLRP3 (0.47) ALDH1A1KMT2AKRASPKM
SCHEMBL12648278 0.78 SLC6A2 (0.43) ALDH1A1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL30858615 0.77 P2RX7 (0.47) ALDH1A1PARP10PARP15PARP14MAOB
SCHEMBL4599084 0.77 CES2 (0.45) ALDH1A1PARP10PARP15PARP14MAOB
SCHEMBL1178263 0.77 SLC6A2 (0.43) ALDH1A1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL16390903 0.77 SLC6A2 (0.43) KMT2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29718813 0.77 CES2 (0.45) ALDH1A1PARP10PARP15PARP14MAOB

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-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed