SCHEMBL1813344

SCHEMBL1813344

CC(C)CN(CC(O)[C@H](Cc1ccccc1)N(C)C(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.48
RORC P51449 4/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
CTSD P07339 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
CNR1 P21554 1/20 0.42
TBXAS1 P24557 1/20 0.42
ADRA1A P35348 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2582086 0.89 SPPL2A (0.48) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL6872886 0.89 SPPL2A (0.49) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL611342 0.89 SPPL2A (0.47) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL28778215 0.89 SPPL2A (0.47) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL8222120 0.88 SPPL2A (0.44) SPPL2AALDH1A1KMT2AMAPK1TDP1
SCHEMBL13964089 0.86 SPPL2A (0.53) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL1813919 0.86 SPPL2A (0.53) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL469706 0.84 SPPL2A (0.68) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL1234685 0.84 SPPL2A (0.68) SPPL2ARORCALDH1A1KMT2AMAPK1
SCHEMBL1668736 0.84 SPPL2A (0.68) SPPL2ARORCALDH1A1KMT2AMAPK1

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-2011061590-A1 NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2011-05-26 WO disclosed