SCHEMBL3425142

SCHEMBL3425142

O=C(O)CN(N=Nc1ccc(S(=O)(=O)O)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ TNNI3 P19429 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TNNT2 P45379 1/20 0.36
▸ TNNC1 P63316 1/20 0.36

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
SCHEMBL13252246 0.85 ALDH1A1 (0.44) POLBSMN1; SMN2TSHRL3MBTL1MEN1
SCHEMBL3425238 0.85 ALDH1A1 (0.44) POLBSMN1; SMN2TSHRL3MBTL1MEN1
SCHEMBL3425803 0.81 L3MBTL1 (0.38) POLBCYP2D6TSHRL3MBTL1MEN1
SCHEMBL3428912 0.80 MEN1 (0.60) POLBSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL1347628 0.79 POLB (0.66) POLBCYP2D6SMN1; SMN2TSHRPHLPP2
SCHEMBL1347624 0.79 POLB (0.66) POLBCYP2D6SMN1; SMN2TSHRPHLPP2
SCHEMBL14497459 0.78 POLB (0.51) POLBCYP2D6SMN1; SMN2TSHRPHLPP2
SCHEMBL3423117 0.78 L3MBTL1 (0.36) SMN1; SMN2TSHRL3MBTL1ALDH1A1KEAP1
SCHEMBL31742273 0.77 POLB (0.54) POLBCYP2D6TSHRPHLPP2MEN1
SCHEMBL408153 0.73 POLB (1.00) POLBCYP2D6SMN1; SMN2TSHRPHLPP2

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-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 — — US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 — — US disclosed
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