SCHEMBL23129692

SCHEMBL23129692

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.74
MLNR O43193 1/20 0.57
ABCB11 O95342 1/20 0.57
LMNA P02545 1/20 0.57
CTSD P07339 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP3A5 P20815 1/20 0.57
CNR1 P21554 1/20 0.57
TBXAS1 P24557 1/20 0.57
ADRA1A P35348 1/20 0.57
ABCB1 P08183 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
KCNH2 Q12809 1/20 0.53
SCN5A Q14524 1/20 0.53
KCND3 Q9UK17 1/20 0.53
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53

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
SCHEMBL608142 1.00 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1051190 1.00 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL9605440 1.00 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL10031792 1.00 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
Hydrochloric Acid SCHEMBL14637729 0.99 SPPL2A (0.73) SPPL2AMLNRABCB11LMNACTSD
Hydrochloric Acid SCHEMBL14636197 0.99 SPPL2A (0.73) SPPL2AMLNRABCB11LMNACTSD
Sulfuric Acid SCHEMBL18281506 0.98 SPPL2A (0.72) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4373559 0.94 SPPL2A (0.76) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4911140 0.94 SPPL2A (0.76) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1054059 0.92 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-3795572-A1 DARUNAVIR PROPIONATE SOLVATE Laurus Labs Limited (IN) 2021-03-24 EP disclosed