SCHEMBL16196869

SCHEMBL16196869

Cc1cc(C)c(N2C=[N+](CCCCS(=O)(=O)[O-])CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
Trifluoromethanesulfonic Acid SCHEMBL5455690 0.76 — —
Trifluoromethanesulfonic Acid SCHEMBL5446147 0.76 ACHE (0.35) —
SCHEMBL1947976 0.75 HTT (0.33) HTT
Hydrochloric Acid SCHEMBL5451642 0.72 — —
Hydrochloric Acid SCHEMBL5453287 0.72 — —
Bromide SCHEMBL5441404 0.72 — —
SCHEMBL5458327 0.69 — —
SCHEMBL19627842 0.67 BBOX1 (0.32) ALDH1A1KDM4EHTT
SCHEMBL16196870 0.67 L3MBTL1 (0.38) L3MBTL1ALDH1A1KDM4EMAPTTHRB
SCHEMBL18103972 0.65 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105531028-B 9th group 4 transition metal catalyst and its application method 光明创新(武汉)有限公司 2019-06-25 — — CN disclosed
CN-105531028-A Group 9 transition metal catalysts and process for use of same GUANG MING INNOVATION COMPANY WUHAN 2016-04-27 — — CN disclosed
WO-2014172885-A1 GROUP 9 TRANSITION METAL CATALYSTS AND PROCESS FOR USE OF SAME GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2014-10-30 — — WO disclosed
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