SCHEMBL11053294

SCHEMBL11053294

Oc1cc(O)cc(N=C=S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.44
BACE1 P56817 1/20 0.42
P2RY6 Q15077 4/20 0.39
RAD1 O60671 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HSD17B10 Q99714 3/20 0.33
PNMT P11086 1/20 0.32
TRPA1 O75762 1/20 0.32
LCK P06239 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 2/20 0.32
LTA P01374 2/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL14199084 0.84 ALDH1A1 (0.48) MIFP2RY6RAD1ALDH1A1ACHE
SCHEMBL7387255 0.80 MIF (0.55) MIFP2RY6RAD1CA1CA2
SCHEMBL9701237 0.77 MIF (0.54) MIFP2RY6RAD1CA1CA2
SCHEMBL457107 0.74 MIF (0.56) MIFP2RY6RAD1CA1CA2
SCHEMBL11884642 0.73 HSD17B10 (0.44) MIFP2RY6RAD1CA1CA2
SCHEMBL23760097 0.69 GAA (0.46) CA1CA2CYP3A4MAPTMEN1
SCHEMBL4266532 0.69 CA2 (0.50) CA1CA2HSD17B10ALDH1A1CYP3A4
SCHEMBL14102094 0.69 GABRA1 (0.52) MIFP2RY6CA1CA2ALDH1A1
SCHEMBL21387144 0.69 ESR1 (0.50) MIFP2RY6CA1CA2HSD17B10
SCHEMBL7387579 0.69 P2RY6 (0.45) MIFP2RY6RAD1CA1CA2

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-4482484-A Compounds and hapten-immunoglobulin conjugates derived from them LILLY INDUSTRIES LIMITED (GB) 1984-11-13 US disclosed
EP-0053915-B1 NOVEL COMPOUNDS AND HAPTEN-IMMUNOGLOBULIN CONJUGATES DERIVED FROM THEM Lilly Industries Limited (GB) 1984-07-04 EP disclosed
US-4442032-A Isothiocyanato-azobenzene-sulfonic, arsonic and substituted-glutamic acid haptens LILLY INDUSTRIES LIMITED (GB) 1984-04-10 US disclosed
EP-0053915-A1 Novel compounds and hapten-immunoglobulin conjugates derived from them Lilly Industries Limited (GB) 1982-06-16 EP disclosed