SCHEMBL3424198

SCHEMBL3424198

O=S(=O)(O)CNN=Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 9/20 0.39
▸ MEN1 O00255 7/20 0.39
▸ KMT2A Q03164 7/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TRPA1 O75762 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ CASP3 P42574 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
SCHEMBL13252238 1.00 POLB (0.47) POLBCYP2D6TDP1TSHRCYP1A1
SCHEMBL3428025 0.82 POLB (0.53) POLBCYP2D6TDP1TSHRALDH1A1
SCHEMBL3423108 0.73 TDP1 (0.45) POLBCYP2D6TDP1TSHRCYP1A1
Azobenzene SCHEMBL28447456 0.73 POLB (0.71) POLBCYP2D6TDP1TSHRALDH1A1
Azobenzene SCHEMBL27983410 0.73 POLB (0.71) POLBCYP2D6TDP1TSHRALDH1A1
SCHEMBL3423642 0.72 CYP1A2 (0.55) POLBTDP1ALDH1A1MAPTMEN1
SCHEMBL3426361 0.71 TDP1 (0.47) POLBCYP2D6TDP1TSHRCYP1A1
SCHEMBL10457876 0.71 TDP1 (0.47) POLBCYP2D6TDP1TSHRCYP1A1
SCHEMBL3424244 0.70 MAPT (0.50) POLBTDP1TSHRCYP1A1CYP1B1
SCHEMBL11331831 0.70 POLB (0.60) POLBCYP2D6TSHRMEN1KMT2A

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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