SCHEMBL14397286

SCHEMBL14397286

Cc1ccc(S(=O)(=O)OCc2cc(C3=CC=CC3)cc(COS(=O)(=O)c3ccc(C)cc3)c2OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 3/20 0.33
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
HTT P42858 2/20 0.33
STAT3 P40763 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 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
SCHEMBL464388 0.78 MEN1 (0.43) P2RY12MEN1KMT2AALDH1A1GAA
SCHEMBL14369561 0.75 MEN1 (0.46) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL7723186 0.71 STAT3 (0.34) P2RY12MEN1KMT2AALDH1A1GAA
SCHEMBL8061919 0.69 VDR (0.47) MEN1KMT2AALDH1A1GAACYP2C19
SCHEMBL19207382 0.68 ALDH1A1 (0.42) MEN1KMT2AALDH1A1GAACYP2C19
SCHEMBL7723983 0.68 CYP2D6 (0.35) P2RY12ALDH1A1GAACYP2C19CYP1A2
SCHEMBL13608636 0.67 KMT2A (0.46) MEN1KMT2AALDH1A1GAACYP2C19
SCHEMBL8052920 0.66 CA2 (0.63) MEN1KMT2AALDH1A1GAACYP2C19
SCHEMBL6859827 0.66 CA2 (0.63) MEN1KMT2AALDH1A1GAACYP2C19
SCHEMBL13954243 0.66 VDR (0.51) MEN1KMT2AALDH1A1GAACYP2C19

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
US-7279588-B2 Dinuclear metal complex and pyrophosphate assay using the same SEOUL NATIONAL UNIVERSITY FOUNDATION (KR) 2007-10-09 US disclosed