SCHEMBL7133200

SCHEMBL7133200

COc1c(Cl)ccc(NC(=O)CC(C)=O)c1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
TAS1R2 Q8TE23 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
MEP1B Q16820 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7603112 0.86 KMT2A (0.54) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL13580638 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL5698471 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL2013991 0.78 KMT2A (0.62) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL11575816 0.77 MEN1 (0.56) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL7135301 0.76 KMT2A (0.52) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL2912176 0.76 MEN1 (0.54) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL17509893 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL10624511 0.74 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL31365394 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATAS1R3TAS1R1

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
EP-1146088-B1 Method of producing disazo pigment TOYO INK MFG CO (JP) 2003-07-02 EP disclosed
US-20010041793-A1 Method of producing disazo pigment TOYO INK MFG. CO., LTD. (JP) 2001-11-15 US disclosed
EP-1146088-A1 Method of producing disazo pigment Toyo Ink Manufacturing Co. Ltd. (JP) 2001-10-17 EP disclosed
US-6303762-B1 COUPLING A TETRAZO BENZIDINES AND A MIXTURE OF N-PHENYLACETOACETAMIDES TOYO INK MFG. CO., LTD. (JP) 2001-10-16 US disclosed