SCHEMBL17060508

SCHEMBL17060508

O=C(Cl)c1ccccc1C(=O)c1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 3/20 0.70
▸ NR4A1 P22736 1/20 0.57
▸ NR4A2 P43354 1/20 0.57
▸ NR4A3 Q92570 1/20 0.57
▸ CNR2 P34972 10/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MMP3 P08254 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ CNR1 P21554 6/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ PTK2B Q14289 1/20 0.49
▸ PRNP P04156 1/20 0.46

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
SCHEMBL27755163 0.88 NR4A1 (0.65) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL123694 0.88 NR4A1 (0.65) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL29808434 0.88 NR4A1 (0.65) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL29414437 0.88 CDC25B (0.80) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL244802 0.88 CDC25B (0.80) CDC25BNR4A1NR4A2NR4A3CNR2
Naphthalene SCHEMBL29033941 0.86 NR4A1 (0.63) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL28224211 0.86 NR4A1 (0.63) CDC25BNR4A1NR4A2NR4A3CNR2
Hydrochloric Acid SCHEMBL27310761 0.86 NR4A1 (0.63) CDC25BNR4A1NR4A2NR4A3CNR2
Hydrochloric Acid SCHEMBL27713225 0.86 CDC25B (0.77) CDC25BNR4A1NR4A2NR4A3CNR2
SCHEMBL9375700 0.83 ALDH1A1 (0.58) CDC25BNR4A1MAPTKMT2APRNP

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
EP-2915842-A1 Oxygen scavenging composition for plastic material Clariant International Ltd. (CH) 2015-09-09 — — EP disclosed
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