SCHEMBL3423461

SCHEMBL3423461

CC(=O)Nc1ccc(S(=O)(=O)O)c(N=NNCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 2/20 0.43
AMY1A P0DUB6 4/20 0.40
CDK1 P06493 1/20 0.40
PRMT3 O60678 1/20 0.40
EP300 Q09472 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
P2RX3 P56373 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
MAOA P21397 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3422549 0.86 ENPP2 (0.48) ENPP2ALDH1A1AMY1ACDK1PRMT3
SCHEMBL3422829 0.85 ENPP2 (0.44) ENPP2ALDH1A1AMY1ACDK1PRMT3
SCHEMBL14181388 0.80 ENPP2 (0.51) ENPP2ALDH1A1AMY1ACDK1PRMT3
SCHEMBL14502162 0.79 ENPP2 (0.43) ENPP2ALDH1A1AMY1ACDK1PRMT3
SCHEMBL3426212 0.76 CA1 (0.37) SMN1; SMN2POLB
SCHEMBL14212419 0.76 ALDH1A1 (0.55) ENPP2ALDH1A1AMY1ACDK1PRMT3
SCHEMBL3425789 0.76 ENPP2 (0.47) ENPP2ALDH1A1AMY1ACDK1PRMT3
SCHEMBL7918632 0.76 ENPP2 (0.49) ENPP2ALDH1A1CDK1PRMT3EP300
SCHEMBL3423466 0.73 P2RX5 (0.38) ENPP2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL3425394 0.72 CYP1A2 (0.52) ALDH1A1MAPTHPGDPOLBMEN1

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 4 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
EP-1779104-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE Ciba SC Holding AG (CH) 2007-05-02 EP disclosed
WO-2006015962-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-02-16 WO disclosed