SCHEMBL31435465

SCHEMBL31435465

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cc2ccc(F)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.43
HTR3A P46098 2/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
C1S P09871 2/20 0.39
CFD P00746 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL29065460 0.84 BCL2L1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL30416195 0.84 BCL2L1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL155481 0.83 HDAC1 (0.56) CHRNA7HTR3AHDAC1HDAC6HDAC3
SCHEMBL3471180 0.79 PTPN2 (0.52) CHRNA7HTR3AHDAC1HDAC6HDAC3
SCHEMBL14562910 0.77 HSD17B1 (0.49) CHRNA7HTR3AHDAC1HDAC6HDAC3
SCHEMBL153935 0.76 BCL2L1 (0.59) CHRNA7HTR3AHDAC1HDAC6HDAC3
SCHEMBL31435451 0.76 BCL2L1 (0.59) CHRNA7HTR3AHDAC1HDAC6HDAC3
SCHEMBL3064054 0.74 CHRNA7 (0.45) CHRNA7HTR3AHDAC1HDAC6HDAC3
Phosphonic Acid SCHEMBL27130837 0.74 PTPN2 (0.34) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL5889493 0.73 HDAC4 (0.42) HDAC1HDAC6HDAC3HDAC4KDM4E

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-119301127-A 6-Oxo-decahydro pyrrolo [1,2-a ] [1,5] diazocine and 6-oxo-decahydro-4H-pyrrolo [2,1-d ] [1,5] thiaazacine derivatives as modulators of STAT3 and STAT6 for the treatment of cancer and inflammatory conditions 瑞克鲁迪克斯制药股份有限公司 2025-01-10 CN disclosed