SCHEMBL28834293

SCHEMBL28834293

NC(=O)OCc1cc(Cl)nnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.39
▸ NQO1 P15559 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ CASP1 P29466 5/20 0.32
▸ HTT P42858 1/20 0.32
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL28834366 0.75 MAPT (0.35) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL15884262 0.73 TDP1 (0.40) TDP1ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL28834317 0.73 IDO1 (0.35) ALDH1A1LMNAKMT2ACYP1A2MEN1
SCHEMBL11903960 0.72 TDP1 (0.39) TDP1ALDH1A1KMT2ACYP1A2MEN1
SCHEMBL30951401 0.71 TDP1 (0.35) TDP1KMT2AMEN1
SCHEMBL14114863 0.71 ALDH1A1 (0.42) TDP1ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL10846450 0.70 TDP1 (0.44) TDP1ALDH1A1PKM
SCHEMBL5377910 0.70 TDP1 (0.50) TDP1ALDH1A1PKM
SCHEMBL29404355 0.70 TDP1 (0.44) TDP1ALDH1A1LMNAL3MBTL1PKM
SCHEMBL1188816 0.70 TDP1 (0.44) TDP1ALDH1A1LMNAL3MBTL1PKM

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-114981256-A Single-ring agonists of the interferon gene stimulator STING 斯克里普斯研究学院 2022-08-30 — — CN disclosed
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