SCHEMBL2909040

SCHEMBL2909040

CC(C)CN(C[C@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc(O)c(NC(=O)OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.61
KMT2A Q03164 1/20 0.51
MLNR O43193 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
CTSD P07339 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP3A5 P20815 1/20 0.45
CNR1 P21554 1/20 0.45
TBXAS1 P24557 1/20 0.45
ADRA1A P35348 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
ABCB1 P08183 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43

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
SCHEMBL1057686 1.00 SPPL2A (0.61) SPPL2AKMT2AMLNRABCB11LMNA
SCHEMBL1054255 0.93 SPPL2A (0.61) SPPL2AKMT2AMLNRABCB11LMNA
SCHEMBL1056483 0.92 SPPL2A (0.64) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1058448 0.86 SPPL2A (0.69) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1058175 0.85 SPPL2A (0.61) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL6449637 0.84 SPPL2A (0.67) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1056779 0.84 SPPL2A (0.67) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL14338808 0.82 SPPL2A (0.76) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1057249 0.82 SPPL2A (0.65) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1055917 0.81 SPPL2A (0.73) SPPL2AMLNRABCB11LMNACTSD

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-2216334-A1 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-08-11 EP disclosed