SCHEMBL14637772

SCHEMBL14637772

CC(=O)Nc1ccc(S(=O)(=O)NCC(C)(O)CCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
POLB P06746 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.51
IDO1 P14902 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL3850394 0.81 ALDH1A1 (1.00) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL4071588 0.79 LMNA (0.77) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL7125294 0.76 KMT2A (0.58) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL10961901 0.72 PTPN1 (0.70) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL4824728 0.71 POLB (0.73) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL7125293 0.71 PLAU (0.59) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL18221898 0.71 CA12 (0.60) MEN1KMT2AALDH1A1POLBCYP1A2
SCHEMBL14515787 0.71 AR (0.56) MEN1KMT2AALDH1A1NPSR1POLB
SCHEMBL5139062 0.71 AOC3 (0.51) MEN1KMT2AALDH1A1POLBCYP1A2
SCHEMBL4068451 0.71 POLB (0.78) MEN1KMT2AALDH1A1NPSR1POLB

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-2013011485-A1 PROCESS FOR THE PREPARATION OF SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2013-01-24 WO disclosed