SCHEMBL28019783

SCHEMBL28019783

[CH2]c1c(C(=O)O)n(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.47
FABP3 P05413 2/20 0.47
FABP4 P15090 2/20 0.47
FABP5 Q01469 2/20 0.47
HTR6 P50406 6/20 0.45
SRC P12931 1/20 0.45
ACLY P53396 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FABP2 P12104 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PLK1 P53350 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40

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
SCHEMBL4119321 0.82 ACLY (0.51) AGTR1FABP3FABP4FABP5HTR6
SCHEMBL2732076 0.82 FABP3 (0.50) AGTR1FABP3FABP4FABP5HTR6
SCHEMBL6829775 0.82 AKR1C3 (0.48) AGTR1FABP3FABP4FABP5HTR6
SCHEMBL5136341 0.79 HTR6 (0.47) AGTR1FABP3FABP4FABP5HTR6
SCHEMBL12093313 0.76 HTR6 (0.70) FABP3FABP4FABP5HTR6SRC
SCHEMBL28184674 0.73 AGTR1 (0.60) AGTR1HTR6ACLYSMN1; SMN2PSEN1
SCHEMBL20505521 0.73 AGTR1 (0.60) AGTR1HTR6SMN1; SMN2PSEN1PSEN2
SCHEMBL8503516 0.72 FABP3 (0.47) AGTR1FABP3FABP4FABP5HTR6
SCHEMBL8188816 0.72 AGTR1 (0.66) AGTR1HTR6ACLYSMN1; SMN2PSEN1
SCHEMBL27537747 0.72 KDM4E (0.50) SRCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104822267-B The inhibitor and its application method that hepatitis b virus covalence closed cyclic DNA is formed 巴鲁克·S·布伦博格研究所 2018-01-23 CN disclosed
CN-104822267-A INHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE BARUCH S BLUMBERG INST 2015-08-05 CN disclosed