SCHEMBL21886869

SCHEMBL21886869

O=C(Cl)CCCCCn1sc(Cl)cc1=O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 10/20 0.72
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
TP53 P04637 2/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
G6PD P11413 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KAT2A Q92830 1/20 0.31

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
SCHEMBL9565202 0.88 KAT2B (0.79) KAT2BALDH1A1TSHRCA12CA1
SCHEMBL8529337 0.82 KAT2B (0.68) KAT2BCA12CA1CA9PTGS1
SCHEMBL11193788 0.80 KAT2B (0.97) KAT2BALDH1A1TSHRCA12CA1
SCHEMBL9565234 0.80 KAT2B (0.97) KAT2BALDH1A1TSHRCA12CA1
SCHEMBL8062252 0.80 KAT2B (0.97) KAT2BALDH1A1TSHRCA12CA1
Hydrochloric Acid SCHEMBL11713957 0.77 KAT2B (0.90) KAT2BALDH1A1TSHRCA12CA1
Hydrochloric Acid SCHEMBL10496287 0.77 KAT2B (0.90) KAT2BALDH1A1TSHRCA12CA1
SCHEMBL8533834 0.77 KAT2B (1.00) KAT2BALDH1A1TSHR
SCHEMBL9255667 0.77 KAT2B (0.69) KAT2BALDH1A1CA12CA1CA9
SCHEMBL21814437 0.77 KAT2B (0.65) KAT2BALDH1A1TSHRCYP3A4

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
WO-2020065408-A1 SULFOMALEIMIDE-BASED LINKERS AND CORRESPONDING CONJUGATES PIERRE FABRE MEDICAMENT (FR) 2020-04-02 WO disclosed