SCHEMBL16196870

SCHEMBL16196870

Cc1cc(C)c([N+]2=CN(CCCCS(=O)(=O)[O-])CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ FFAR4 Q5NUL3 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
Trifluoromethanesulfonic Acid SCHEMBL5446145 0.76 ACHE (0.33) —
SCHEMBL1947979 0.75 CCR5 (0.36) —
SCHEMBL19627842 0.69 BBOX1 (0.32) ALDH1A1KDM4E
SCHEMBL12626979 0.67 HRH3 (0.35) NPSR1
SCHEMBL16196869 0.67 L3MBTL1 (0.41) L3MBTL1ALDH1A1KDM4ENPSR1MAPT
SCHEMBL1887311 0.66 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4EMAPTTHRB
SCHEMBL442095 0.62 ALDH1A1 (0.33) ALDH1A1NPSR1MAPT
Hydrochloric Acid SCHEMBL442699 0.60 ALDH1A1 (0.32) ALDH1A1NPSR1MAPT
Bromide SCHEMBL1608734 0.60 ALDH1A1 (0.32) ALDH1A1NPSR1MAPT
SCHEMBL18103972 0.60 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4ENPSR1MAPT

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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