SCHEMBL11193393

SCHEMBL11193393

O=c1cc(Cl)sn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.60
EP300 Q09472 1/20 0.47
MPI P34949 5/20 0.43
PHOSPHO1 Q8TCT1 4/20 0.43
PMM2 O15305 4/20 0.43
G6PD P11413 4/20 0.43
APOBEC3G Q9HC16 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP3 P42574 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RGS4 P49798 3/20 0.42
RGS8 P57771 3/20 0.42
GSK3B P49841 2/20 0.42

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
SCHEMBL7623894 0.84 KAT2B (0.67) KAT2BEP300MPIPMM2G6PD
SCHEMBL12632651 0.81 KAT2B (0.61) KAT2BMPIPHOSPHO1PMM2G6PD
SCHEMBL21887490 0.80 KAT2B (0.56) KAT2BKDM4EALDH1A1MAPTHPGD
SCHEMBL9518699 0.77 KAT2B (0.50) KAT2BPHOSPHO1G6PDKDM4EALDH1A1
SCHEMBL2108805 0.77 KAT2B (0.73) KAT2BPHOSPHO1MAPTRGS4RGS8
SCHEMBL1533543 0.75 KAT2B (1.00) KAT2BMPIPHOSPHO1PMM2G6PD
SCHEMBL21814475 0.75 TDP1 (0.52) KAT2BEP300MPIPHOSPHO1ALDH1A1
SCHEMBL21886954 0.74 KAT2B (0.50) KAT2BCA1
SCHEMBL465905 0.73 KAT2B (0.54) KAT2BMPIPHOSPHO1MAPTCA12
SCHEMBL21814457 0.72 KAT2B (0.48) KAT2BKDM4EALDH1A1MAPTTDP1

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-4396413-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1983-08-02 US disclosed
US-4241214-A BACTERICIDE, FUNGICIDE AND ALGAECIDE ROHM AND HAAS COMPANY (US) 1980-12-23 US disclosed
US-4150026-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1979-04-17 US disclosed
US-4062946-A 3-ISOTHIAZOLONES ROHM AND HAAS COMPANY (US) 1977-12-13 US disclosed