SCHEMBL7258237

SCHEMBL7258237

COc1ccc(NS(=O)(=O)C[C@H](CCCCOC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
MAPT P10636 8/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CSNK2A1 P68400 1/20 0.40
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ADORA3 P0DMS8 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL6404582 0.93 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1LMNA
Bromide SCHEMBL6402414 0.93 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6404090 0.91 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6401544 0.79 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL6400682 0.73 MAPT (0.59) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6403273 0.73 LMNA (0.49) KMT2ALMNASCN9A
SCHEMBL7256300 0.72 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6401550 0.70 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6403296 0.69 HDAC3 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6401420 0.68 CTSS (0.53) MEN1KMT2AMAPTALDH1A1LMNA

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-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO claimed