SCHEMBL27744809

SCHEMBL27744809

CC(C)CN(CC(O)[CH]Cc1ccccc1)S(=O)(=O)c1ccc(N)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.50
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
RORC P51449 13/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
MMP2 P08253 2/20 0.40
MMP13 P45452 2/20 0.40
MMP14 P50281 2/20 0.40
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
ADAM17 P78536 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
SCHEMBL8021812 0.88 SPPL2A (0.50) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL2579683 0.88 SPPL2A (0.50) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL2578310 0.87 SPPL2A (0.50) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL2581195 0.86 TAS2R14 (0.51) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL2577597 0.84 TAS2R14 (0.50) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL2576905 0.83 MAPK1 (0.49) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL6473313 0.83 SPPL2A (0.50) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL15157850 0.83 TAS2R14 (0.49) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL3575750 0.83 TAS2R14 (0.49) SPPL2ARORCTAS2R14MMP2MMP13
SCHEMBL7618676 0.83 ALDH1A1 (0.59) SPPL2APSEN1PSEN2APH1BNCSTN

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
CN-101304987-A Aminophenylsulfonamide derivatives as HIV protease inhibitor TIBOTEC PHARM LTD (IE) 2008-11-12 CN disclosed