SCHEMBL17992016

SCHEMBL17992016

CN(C)N=Nc1ccc(S(=O)(=O)c2ccccc2OS(N)(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ HTR6 P50406 3/20 0.42
▸ MAPT P10636 2/20 0.39
▸ CA12 O43570 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ HSD17B3 P37058 1/20 0.34
▸ ABCC9 O60706 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 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
SCHEMBL15399203 0.80 LMNA (0.62) LMNAMAPTCA12CA2CA9
SCHEMBL2475367 0.75 LMNA (0.72) LMNAHTR6MAPTCA12CA2
SCHEMBL12489990 0.75 LMNA (0.46) LMNAMAPTCA2NPC1RAB9A
SCHEMBL15398500 0.75 LMNA (0.46) LMNAMAPTCA2NPC1RAB9A
SCHEMBL12490357 0.75 STS (0.55) LMNAMAPTCA2CA9NPC1
SCHEMBL15399135 0.75 LMNA (0.46) LMNAMAPTCA2NPC1RAB9A
SCHEMBL17992004 0.69 LMNA (0.54) LMNAMAPTCA12CA2CA9
SCHEMBL12490830 0.68 LMNA (0.54) LMNAMAPTCA12CA2CA9
SCHEMBL15398657 0.68 LMNA (0.62) LMNAMAPTCA12CA2CA9
SCHEMBL15398562 0.68 LMNA (0.41) LMNAMAPTNPC1RAB9AALDH1A1

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
US-9409859-B2 Substituted diphenyl derivatives CREATIVE THERAPEUTICS GMBH (DE) 2016-08-09 — — US disclosed
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