SCHEMBL8004732

SCHEMBL8004732

COC(=O)c1ccc(Oc2ccc3ncccc3c2)c(S(C)(=O)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.62
HTT P42858 1/20 0.62
ALPL P05186 2/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.46
SCN9A Q15858 1/20 0.46
PLK1 P53350 1/20 0.44
BRD4 O60885 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGER3 P43115 1/20 0.41
PPARG P37231 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
BCAT1 P54687 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8831746 0.84 PLK1 (0.47) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL8880848 0.84 PDE4B (0.43) ALOX15HTTALPLNPC1RAB9A
SCHEMBL8181320 0.81 HTT (0.49) ALOX15HTTALPLALDH1A1GAA
SCHEMBL8172598 0.79 VCAM1 (0.43) ALOX15HTTALPLALDH1A1SMN1; SMN2
SCHEMBL8186182 0.79 ALPL (0.57) ALPLALDH1A1GAA
SCHEMBL8186035 0.79 KMT2A (0.47) ALPLALDH1A1
SCHEMBL265015 0.79 ALOX15 (1.00) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL30718649 0.79 ALOX15 (1.00) ALOX15HTTNPC1RAB9AALDH1A1
SCHEMBL8182321 0.78 ALPL (0.45) ALOX15HTTALPLNPC1RAB9A
SCHEMBL27928930 0.77 ALOX15 (0.97) ALOX15HTTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022899-A EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-08 US disclosed
US-5753710-A INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed