SCHEMBL1413996

SCHEMBL1413996

CCCCCCCCCCNc1ccc(S(=O)(=O)Nc2nnc(C(=O)OCC)s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 11/20 0.75
▸ GAB1 Q13480 4/20 0.75
▸ IRS1 P35568 3/20 0.75
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL282181 0.86 AKT1 (0.75) AKT1GAB1IRS1SMN1; SMN2PKM
SCHEMBL282905 0.86 AKT1 (1.00) AKT1GAB1IRS1
SCHEMBL1413821 0.84 AKT1 (0.76) AKT1GAB1IRS1ALDH1A1PKM
SCHEMBL282840 0.82 AKT1 (0.67) AKT1GAB1IRS1ALDH1A1LMNA
SCHEMBL14864429 0.81 AKT1 (0.65) AKT1GAB1IRS1ALDH1A1LMNA
SCHEMBL14864424 0.81 AKT1 (0.69) AKT1GAB1IRS1ALDH1A1LMNA
SCHEMBL1413850 0.80 AKT1 (0.74) AKT1GAB1IRS1ALDH1A1PKM
SCHEMBL20657476 0.72 GHSR (0.55) ALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL11334918 0.71 LMNA (0.63) ALDH1A1LMNASMN1; SMN2
SCHEMBL22438952 0.71 LMNA (0.63) ALDH1A1LMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477625-A2 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME Phusis Therapeutics Inc. (US) 2012-07-25 — — EP disclosed
WO-2011032169-A2 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. (US) 2011-03-17 — — WO disclosed
EP-2291349-A2 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME The Board of Regents of The University of Texas System (US) 2011-03-09 — — EP disclosed
WO-2009129267-A2 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 — — WO disclosed
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