SCHEMBL11113480

SCHEMBL11113480

CSc1nnc(SCI)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.38
APEX1 P27695 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS1 P23219 2/20 0.33

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
SCHEMBL13819917 0.81 KMT2A (0.43) KMT2AALDH1A1APEX1CA1CA2
SCHEMBL5181029 0.80
SCHEMBL4822631 0.79 ALDH1A1 (0.59) KMT2AALDH1A1CA1CA2CA4
SCHEMBL14582782 0.77 ALDH1A1 (0.47) KMT2AALDH1A1APEX1CA1CA2
SCHEMBL8443575 0.77
SCHEMBL11589488 0.74 APEX1 (0.47) KMT2AALDH1A1APEX1CA1CA2
SCHEMBL6261195 0.72 KMT2A (0.50) KMT2AALDH1A1APEX1CA1CA2
SCHEMBL2455112 0.72 CA1 (0.41) KMT2AALDH1A1CA1CA2CA4
SCHEMBL12313926 0.72 FBP1 (0.48) KMT2AALDH1A1CA1CA2CA4
SCHEMBL17550796 0.71 ALDH1A1 (0.64) KMT2AALDH1A1APEX1GAAL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed