SCHEMBL28746965

SCHEMBL28746965

CC(C)c1c[nH]c(S(=O)(=O)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.41
▸ MET P08581 1/20 0.37
▸ FFAR2 O15552 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL27825213 0.78 L3MBTL1 (0.47) HTR6METHTTL3MBTL1SMN1; SMN2
SCHEMBL28974082 0.76 HTR6 (0.46) HTR6METAKR1B1HTTTDP1
SCHEMBL2361633 0.70 KMT2A (0.45) HTR6METAKR1B1HTTSMN1; SMN2
SCHEMBL8492219 0.70 HTR6 (0.36) HTR6METAKR1B1L3MBTL1SLC6A2
SCHEMBL4119540 0.67 KDM4E (0.40) HTTALDH1A1HSD17B10KDM4EMAPT
SCHEMBL4616465 0.64 ALDH1A1 (0.61) HTR6CHRM2CHRM1SMN1; SMN2ALDH1A1
SCHEMBL4728735 0.63 HTR6 (0.48) HTR6METAKR1B1TDP1SMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL9642019 0.63 HTR6 (0.88) HTR6HTTL3MBTL1TDP1SMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL30255 0.62 HTR6 (1.00) HTR6TDP1SMN1; SMN2ALDH1A1HSD17B10
(Phenylsulfonyl)Benzene SCHEMBL13735236 0.62 HTR6 (1.00) HTR6TDP1SMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103497149-A Preparation method of 5-aminomethyl pyridine derivative RENNOTECH CO LTD 2014-01-08 — — CN disclosed
CN-1354752-A Boronic acid containing reagents and oligonucleotides PROLINX INC (US) 2002-06-19 — — CN disclosed
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