SCHEMBL8869252

SCHEMBL8869252

O=[C]c1ccccc1C(=O)NCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12041029 0.80 NAAA (0.60) TSHRHTTHPGDPOLBSMN1; SMN2
SCHEMBL6540287 0.80 HTT (0.57) TSHRHTTHPGDPOLBSMN1; SMN2
SCHEMBL23222214 0.78 ALDH1A1 (0.56) TSHRHTTHPGDSMN1; SMN2HDAC3
SCHEMBL6539603 0.76 KMT2A (0.53) TSHRHTTHPGDL3MBTL1CA1
SCHEMBL12608926 0.75 HCRTR1 (0.51) TSHRHTTHPGDALDH1A1NPSR1
SCHEMBL5709109 0.74 L3MBTL1 (0.60) POLBSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL14583013 0.74 HDAC3 (0.42) TSHRHTTHPGDSMN1; SMN2NLRP3
SCHEMBL12608932 0.73 KDM4E (0.57) TSHRHTTHPGDPOLBSMN1; SMN2
SCHEMBL6461738 0.73 CTSD (0.50) NPC1RAB9ACA1CA2CA9
SCHEMBL15344057 0.72 HCRTR1 (0.52) TSHRHPGDCA1CA2CA9

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
US-5602150-A TREATMENT OF SCHIZOPHRENIA WITH REDUCED SIDE EFFECTS RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. (US) 1997-02-11 — — US claimed
US-5602150-A TREATMENT OF SCHIZOPHRENIA WITH REDUCED SIDE EFFECTS RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. (US) 1997-02-11 — — US disclosed
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