SCHEMBL28189652

SCHEMBL28189652

O=[SH](=O)CCCCCn1c(CCl)cc2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.39
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CCR2 P41597 1/20 0.34

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
SCHEMBL28189724 0.94 ACLY (0.36) ACLYCCR2
SCHEMBL16235686 0.79 ACLY (0.38) ACLY
SCHEMBL16254675 0.75
SCHEMBL16235915 0.74
SCHEMBL16657417 0.72 NUDT1 (0.41) ACLYPSEN1PSEN2APH1BNCSTN
SCHEMBL28189725 0.72 BACE1 (0.47)
SCHEMBL16235887 0.68 NUDT1 (0.40)
SCHEMBL15416636 0.66 NUDT1 (0.40)
SCHEMBL16236021 0.65 PPARG (0.39)
SCHEMBL16236263 0.65 NUDT1 (0.39) ACLYCCR2

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-105392787-B For treating and preventing the azepine oxindole of respiratory syncytial virus infection 豪夫迈·罗氏有限公司 2017-11-24 CN disclosed